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FK 224, Antagonist of NK 1 receptor;Antagonist of NK 3 receptorCas#: 125787-94-2 Compound CID: 6437864IUPAC Name: N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamideSMILES: CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/c2ccc(cc2)O)/N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)CInChIKey: BEWCDVTWUFJSSM-MBMPTNJISA-NInChI: InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-Synonyms: FK 224|FK224|FK-224|N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphen...
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R-486, Antagonist of NK 1 receptorCas#: 132041-95-3 Compound CID: 101609115IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acidSMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CO)NC(=O)C(CC(=O)O)NInChIKey: VCOJTYHIRISXJZ-AOUUIGKNSA-NInChI: InChI=1S/C41H57N9O10S/c1-23(2)17-30(39(58)47-29(36(43)55)14-16-61-3)46-34(52)13-15-44-38(57)32(19-25-21-45-28-12-8-7-11-26(25)28)49-40(59)31(18-24-9-5-4-6-10-24)48-41(60)33(22-51)50-37(56)27(42)20-35(53)54/h4-12,21,23,27,29-33,45,51H,13-20,22,42H2,1-3H3,(H2,43,55)(H,44,57)(H,46,52)(H,47,58)(H,48,60)(H,49,59)(H,50,56)(H,53,54)/t27-,29-,30-,31-,32-,33-/m0/s1Synonyms: [Trp⁷,β-Ala⁸]neurokinin A(4-10);MEN 10295;R 486;R486
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TP0556351, Inhibitor of MMP12;Inhibitor of MMP13;Inhibitor of MMP14;Inhibitor of MMP2;Inhibitor of MMP8;Inhibitor of MMP9IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[5-[[4-(4-carbamoylphenoxy)benzoyl]amino]pentanoylamino]-5-oxopentanoic acidSMILES: CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)NInChIKey: FVDPKGPPYGTKTO-DLXWRWKMSA-NInChI: InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1Synonyms: TP0556351|TP-0556351|74RNN4L7X5|UNII-74RNN4L7X5|CHEMBL5169565|2787582-17-4|GTPL12057|GLXC-25892|BDBM50606397|compound...
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[Sar⁹,Met(O₂)¹¹]SP, Agonist of NK 1 receptorSynonyms: [Sar⁹,Met(O₂)¹¹]substance P;[Sar⁹]substance P sulfone
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[Pro⁹]SP, Agonist of NK 1 receptorSynonyms: [Pro⁹]substance P
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[¹²⁵I]CCL17 (human), Agonist of CCR4Synonyms: [¹²⁵I]TARC
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[¹²⁵I]CCL27 (human), Agonist of CCR4Synonyms: [¹²⁵I]CTACK
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[¹²⁵I]BH-[Sar⁹,Met(O₂)¹¹]SP, Agonist of NK 1 receptorSynonyms: [¹²⁵I]-BH-[Sar⁹,Met(O₂)¹¹]SP;[¹²⁵I]-Bolton Hunter-[Sar⁹,Met(O₂)¹¹]substance P
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neuropeptide-γ, Agonist of NK 1 receptorSMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)[C@@H](C)OInChIKey: PLSDWRYNZIVQKX-BGKYVOMCSA-NInChI: InChI=1S/C99H157N33O30S/c1-10-51(6)79(131-87(150)62(24-25-72(103)136)117-73(137)42-111-83(146)66(33-55-38-106-46-113-55)119-74(138)41-110-81(144)52(7)116-82(145)58(102)36-76(140)141)96(159)129-71(45-134)94(157)126-68(35-57-40-108-48-115-57)90(153)121-59(21-14-16-27-100)84(147)120-61(23-18-29-109-99(104)105)85(148)125-67(34-56-39-107-47-114-56)89(152)122-60(22-15-17-28-101)86(149)132-80(53(8)135)97(160)127-69(37-77(142)143)91(154)128-70(44-133)93(156)124-65(32-54-19-12-11-13-20-54)92(155)130-78(50(4)5)95(158)112-43-75(139)118-64(31-49(2)3)88(151)123-63(98(161)162)26-30-163-9/h11-13,19-20,38-40,46-53,58-71,78-80,133-135H,10,14-18,21-37,41-45,100-102H2,1-9H3,(H2,103,136)(H,106,113)(H,107,114)(H,108,115)(H,110,144)(H,111,146)(H,112,158)(H,116,145)(H,117,137)(H,118,139)(H,119,138)(H,120,147)(H,121,153)(H,122,152)(H,123,151)(H,124,156)(H,125,148)(H,126,157)(H,127,160)(H,128,154)(H,129,159)(H,130,155)(H,131,150)(H,132,149)(H,140,141)(H,142,143)(H,161,162)(H4,104,105,109)/t51-,52-,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-/m0/s1
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vMIP-III, Agonist of CCR4Synonyms: HHV8 vMIP-III;KSHV vMIP-III
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[³H]SP (human, mouse, rat), Agonist of NK 1 receptorSMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=OInChIKey: ADNPLDHMAVUMIW-CUZNLEPHSA-NInChI: InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
