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  1. , Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
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    Binimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    Cas#: 606143-89-9        Compound CID:  10288191
    Formula:  C17H15BrF2N4O3        Molecular Weight: 441.23
    IUPAC Name: 6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
    SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO
    InChIKey: ACWZRVQXLIRSDF-UHFFFAOYSA-N
    InChI: InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
    Synonyms: AMY9056 | BINIMETINIB [WHO-DD] | D10604 | GTPL7921 | Q19903515 | QO7 | EN300-7411873 | NSC 267219 | SW219910-1 | US11...
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  2. , Receptor protein-tyrosine kinase erbB-4 inhibitor
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    Neratinib (HKI-272), Receptor protein-tyrosine kinase erbB-4 inhibitor
    Cas#: 698387-09-6        Compound CID:  9915743
    Formula:  C30H29ClN6O3        Molecular Weight: 557.04
    IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
    InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N
    InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
    Synonyms: EC 244-343-6 | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but...
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  3. , Bcr/Abl fusion protein
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    Dasatinib, Bcr/Abl fusion protein
    Cas#: 302962-49-8        Compound CID:  3062316
    Formula:  C22H26ClN7O2S        Molecular Weight: 488.01
    IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
    SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
    InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
    Synonyms: BMS 354825 | AR-270/43507994 | Dasatinib (JAN/INN) | HMS3744C11 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHY...
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  4. , Tyrosine-protein kinase BTK inhibitor
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    Ibrutinib (PCI-32765), Tyrosine-protein kinase BTK inhibitor
    Cas#: 936563-96-1        Compound CID:  24821094
    Formula:  C25H24N6O2        Molecular Weight: 440.5
    IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
    SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N
    InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
    Synonyms: PCI32765 | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one | 1...
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  5. , Dual specificity mitogen-activated protein kinase kinase; MEK1/2 inhibitor
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    Trametinib (GSK1120212), Dual specificity mitogen-activated protein kinase kinase; MEK1/2 inhibitor
    Cas#: 871700-17-3        Compound CID:  11707110
    Formula:  C26H23FIN5O4        Molecular Weight: 615.39
    IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
    SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5
    InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
    InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
    Synonyms: JTP 74057 | GSK1120212 | N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,6...
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  6. , Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
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    Selumetinib (AZD6244), Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    Cas#: 606143-52-6        Compound CID:  10127622
    Formula:  C17H15BrClFN4O3        Molecular Weight: 457.69
    IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
    SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
    InChIKey: CYOHGALHFOKKQC-UHFFFAOYSA-N
    InChI: InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
    Synonyms: 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy -ethoxy)-amide | AZ...
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  7. , Tyrosine-protein kinase Lyn inhibitor
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    Bosutinib (SKI-606), Tyrosine-protein kinase Lyn inhibitor
    Cas#: 380843-75-4        Compound CID:  5328940
    Formula:  C26H29Cl2N5O3        Molecular Weight: 530.45
    IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
    SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
    InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
    Synonyms: SKI-606 | WAY-173606 | Bosutinib,SKI-606 | BSPBio_001023 | NCGC00241107-03 | NSC799367 | NSC-799367 | 4-(2,4-Dichloro...
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  8. , Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
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    Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    Cas#: 934660-93-2        Compound CID:  16222096
    Formula:  C21H21F3IN3O2        Molecular Weight: 531.31
    IUPAC Name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
    SMILES: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
    InChIKey: BSMCAPRUBJMWDF-KRWDZBQOSA-N
    InChI: InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
    Synonyms: Cobimetinib [USAN:INN] | Cobimetinib [USAN] | MEK Inhibitor GDC-0973 | Q15708292 | [3,4-difluoro-2-(2-fluoro-4-iodoan...
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  9. , Receptor protein-tyrosine kinase erbB-4 inhibitor
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    Neratinib (HKI-272), Receptor protein-tyrosine kinase erbB-4 inhibitor
    Cas#: 698387-09-6        Compound CID:  9915743
    Formula:  C30H29ClN6O3        Molecular Weight: 557.04
    IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
    InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N
    InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
    Synonyms: EC 244-343-6 | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but...
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  381. TBXA2R 2 items
  382. ULK1 2 items
  383. ULK2 2 items
  384. TNNI3K 2 items
  385. TRHR 2 items
  386. ASIC3 2 items
  387. CLK2 2 items
  388. GPBAR1 2 items
  389. HDAC8 2 items
  390. HDAC5 2 items
  391. KCNK3 2 items
  392. H1F0 2 items
  393. IMPDH2 2 items
  394. IMPDH1 2 items
  395. ICAM1 2 items
  396. PAK3 2 items
  397. NTRK2 2 items
  398. PPARA 2 items
  399. PPARD 2 items
  400. SLC10A1 2 items
  401. NTRK1 2 items
  402. PPP3CA 2 items
  403. CAMK2G 2 items
  404. KCNT1 2 items
  405. MAPK14 2 items
  406. MAP2K5 2 items
  407. MTNR1A 2 items
  408. NISCH 2 items
  409. MYLK3 2 items
  410. MYLK4 2 items
  411. MYLK 2 items
  412. MTNR1B 2 items
  413. CXCR4 1 item
  414. DDX1 1 item
  415. EPHA1 1 item
  416. EZH2 1 item
  417. PTK2 1 item
  418. FABP1 1 item
  419. PKN1 1 item
  420. RAMP1 1 item
  421. REN 1 item
  422. PDE8A 1 item
  423. PDE9A 1 item
  424. F2R 1 item
  425. SLC46A1 1 item
  426. PDE8B 1 item
  427. PTGDR2 1 item
  428. TPO 1 item
  429. MPO 1 item
  430. PARP12 1 item
  431. PDE7B 1 item
  432. PDCD4 1 item
  433. RIPK1 1 item
  434. MMP7 1 item
  435. KLK3 1 item
  436. MPC2 1 item
  437. NR4A3 1 item
  438. MAP4K2 1 item
  439. MCL1 1 item
  440. ALOX5 1 item
  441. LTA4H 1 item
  442. LTK 1 item
  443. LPAR1 1 item
  444. ALOX15 1 item
  445. MAP4K4 1 item
  446. MAP2K7 1 item
  447. ABCC5 1 item
  448. NR1I2 1 item
  449. MPC1L 1 item
  450. CALCR 1 item
  451. CASR 1 item
  452. CA11 1 item
  453. CALCRL 1 item
  454. BMPR2 1 item
  455. BRDT 1 item
  456. BCL2 1 item
  457. BACE1 1 item
  458. BCL2L1 1 item
  459. ATP1A1 1 item
  460. ATP4A 1 item
  461. BCL2L2 1 item
  462. AURKB 1 item
  463. AURKC 1 item
  464. AVPR2 1 item
  465. TRPM8 1 item
  466. GC 1 item
  467. ACVR1 1 item
  468. CHRNA3 1 item
  469. CHRNA4 1 item
  470. CHRNE 1 item
  471. ABCB11 1 item
  472. ACKR3 1 item
  473. ALOX5AP 1 item
  474. AKR1B10 1 item
  475. AKR1C1 1 item
  476. ANO1 1 item
  477. AKR1B1 1 item
  478. AKR1A1 1 item
  479. TAS2R16 1 item
  480. TAS2R31 1 item
  481. TAS2R9 1 item
  482. TLR7 1 item
  483. CISD1 1 item
  484. ACTR3 1 item
  485. KCTD8 1 item
  486. GRM5 1 item
  487. GSK3A 1 item
  488. GCGR 1 item
  489. ABAT 1 item
  490. GLRB 1 item
  491. GABBR2 1 item
  492. GABBR1 1 item
  493. IDH1 1 item
  494. P2RY12 1 item
  495. P2RX4 1 item
  496. NTRK3 1 item
  497. PPIA 1 item
  498. TACR1 1 item
  499. NQO1 1 item
  500. CAMK2D 1 item
Action Type
  1. INHIBITOR 9 items
  2. ALLOSTERIC MODULATOR 3 items
Purity
  1. ≥98% 4 items
  2. ≥99% 4 items
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