Approved Ligands
Shop By
-
Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPERCas#: 10540-29-1Formula: C26H29NO Molecular Weight: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
-
Acetylsalicylic acid, Channel blocker of ASIC3;Inhibitor of COX-1;Inhibitor of COX-2Cas#: 50-78-2 Compound CID: 2244Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 2-acetyloxybenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)Synonyms: ASA | Acesal | Acetisal | Aspirdrops | Solpyron | A.S.A. empirin | Acetosal | Benaspir | Contrheuma retard | Acido ac...
-
Pimozide, Dopamine receptor antagonistCas#: 2062-78-4 Compound CID: 16362Formula: C28H29F2N3O Molecular Weight: 461.55IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-oneSMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)FInChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-NInChI: InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)Synonyms: Orap | R6238 | MLS000028410 | Pimozidum | PIMOZIDE [USP MONOGRAPH] | Prestwick0_000308 | HMS501D08 | Opiran | BSPBio_...
-
Olaparib (AZD2281, Ku-0059436), PARP 1, 2 and 3 inhibitorCas#: 763113-22-0 Compound CID: 23725625Formula: C24H23FN4O3 Molecular Weight: 434.46IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneSMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)FInChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-NInChI: InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)Synonyms: KU-0059436 | KU0059436 | KU-0059436 | 4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1...
-
Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2Cas#: 152459-95-5 Compound CID: 5291Formula: C29H31N7O Molecular Weight: 493.6IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideSMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-NInChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)Synonyms: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CGP-57148 | ...
-
Chlorpromazine, D2-like dopamine receptor antagonistCas#: 50-53-3 Compound CID: 2726Formula: C17H19ClN2S Molecular Weight: 318.9IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amineSMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)ClInChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-NInChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3Synonyms: Ampliactil | chlorpromazine | Clorpromazina | Chlordelazin | HL 5746 | NSC-226514 | Cromedazine | Fraction AB | 2-chl...
-
LDK378, NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)Cas#: 1032900-25-6 Compound CID: 57379345Formula: C28H36ClN5O3S Molecular Weight: 558.14IUPAC Name: 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)ClInChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-NInChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)Synonyms: K418KG2GET | 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]py...
-
Aripiprazole, Serotonin 2a (5-HT2a) receptor antagonistCas#: 129722-12-9 Compound CID: 60795Formula: C23H27Cl2N3O2 Molecular Weight: 448.39IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClInChIKey: CEUORZQYGODEFX-UHFFFAOYSA-NInChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)Synonyms: 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril | Aripiprazole [USAN:INN:BAN] | Aripiprazol...
-
Vinblastine, Inhibitor of tubulin beta class ICas#: 865-21-4 Compound CID: 13342Formula: C46H58N4O9 Molecular Weight: 810.97IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylateSMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)OInChIKey: JXLYSJRDGCGARV-CFWMRBGOSA-NInChI: InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1Synonyms: HY-17418 | Vinblastinum [INN-Latin] | VINCRISTINE SULFATE IMPURITY H [EP IMPURITY] | cid_5388983 | methyl (1R,9R,10S,...
-
Trametinib (GSK1120212), Dual specificity mitogen-activated protein kinase kinase; MEK1/2 inhibitorCas#: 871700-17-3 Compound CID: 11707110Formula: C26H23FIN5O4 Molecular Weight: 615.39IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamideSMILES: 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)C5CC5InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-NInChI: 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...
-
astemizole, Histamine H1 receptor antagonistCas#: 68844-77-9 Compound CID: 2247Formula: C28H31FN4O Molecular Weight: 458.57IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amineSMILES: COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)FInChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-NInChI: InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)Synonyms: ASTEMIZOLE [USP IMPURITY] | Astemizole,(S) | Retolen | Waruzol | ASTEMIZOLE [VANDF] | Benzimidazole, 1-(p-fluorobenzy...
-
(±)-Sulfinpyrazone, Antagonist of FPR1;Inhibitor of Urate anion exchanger 1Cas#: 57-96-5 Compound CID: 5342Formula: C23H20N2O3S Molecular Weight: 404.48IUPAC Name: 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dioneSMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4InChIKey: MBGGBVCUIVRRBF-UHFFFAOYSA-NInChI: InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2Synonyms: sulfinpyrazone|57-96-5|Sulphinpyrazone|Anturane|(+/-)-SULFINPYRAZONE|Sulfinpyrazon|Anturan|Diphenylpyrazone|Sulfoxyph...
