Compile Data Set for Download or QSAR
Found 2893 with Last Name = 'min' and Initial = 'h'
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50058163(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50087713((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176610(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
Affinity DataKi:  0.410nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176458(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
Affinity DataKi:  0.470nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  0.5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176697(CHEMBL3809123)
Show SMILES NC(N)=NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
Affinity DataKi:  0.530nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176459(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
Affinity DataKi:  0.580nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  0.600nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176460(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
Affinity DataKi:  0.620nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  0.800nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  0.800nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176458(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
Affinity DataKi:  0.840nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176697(CHEMBL3809123)
Show SMILES NC(N)=NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
Affinity DataKi:  0.850nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  0.900nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50087713((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50058163(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM86190(CAS_0 | NSC_0 | hrCRF)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C208H343N59O64S2/c1-30-105(19)160(262-196(321)145(95-270)259-200(325)161(106(20)31-2)263-197(322)146-50-42-76-266(146)204(329)147-51-43-77-267(147)203(328)132(60-69-157(286)287)246-179(304)126(56-65-153(278)279)235-169(294)117(210)93-268)199(324)257-143(90-158(288)289)193(318)252-138(85-103(15)16)194(319)265-164(113(27)271)202(327)256-139(86-114-44-35-34-36-45-114)189(314)253-141(88-116-92-222-97-227-116)190(315)251-136(83-101(11)12)188(313)250-135(82-100(9)10)185(310)237-121(49-41-75-225-208(219)220)174(299)241-128(58-67-155(282)283)182(307)260-159(104(17)18)198(323)255-137(84-102(13)14)187(312)243-127(57-66-154(280)281)178(303)244-130(70-78-332-28)172(297)230-109(23)165(290)232-119(47-39-73-223-206(215)216)170(295)228-110(24)166(291)234-125(55-64-152(276)277)177(302)240-124(54-63-150(213)274)180(305)248-133(80-98(5)6)184(309)231-111(25)167(292)233-123(53-62-149(212)273)176(301)239-122(52-61-148(211)272)171(296)229-112(26)168(293)247-140(87-115-91-221-96-226-115)191(316)258-144(94-269)195(320)254-142(89-151(214)275)192(317)238-120(48-40-74-224-207(217)218)173(298)236-118(46-37-38-72-209)175(300)249-134(81-99(7)8)186(311)245-131(71-79-333-29)181(306)242-129(59-68-156(284)285)183(308)261-162(107(21)32-3)201(326)264-163(205(330)331)108(22)33-4/h34-36,44-45,91-92,96-113,117-147,159-164,268-271H,30-33,37-43,46-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,317)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,315)(H,252,318)(H,253,314)(H,254,320)(H,255,323)(H,256,327)(H,257,324)(H,258,316)(H,259,325)(H,260,307)(H,261,308)(H,262,321)(H,263,322)(H,264,326)(H,265,319)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t105?,106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,159-,160-,161-,162-,163-,164-/m0/s1
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  1.70nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50084875(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  1.90nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263621(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
Affinity DataKi:  1.90nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263774((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
Affinity DataKi:  1.90nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Agouron Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50059331((R)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-...)
Show SMILES Cc1cc(sc1CCC1CNc2nc(N)[nH]c(=O)c2S1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23N5O6S2/c1-8-6-12(16(27)22-10(18(29)30)3-5-13(25)26)32-11(8)4-2-9-7-21-15-14(31-9)17(28)24-19(20)23-15/h6,9-10H,2-5,7H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t9?,10-/m1/s1
Affinity DataKi:  2nMAssay Description:Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor .More data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  2.5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50084875(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263620(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
Affinity DataKi:  3nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Agouron Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50059333((R)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-...)
Show SMILES Nc1nc2NCC(CCc3ccc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)Sc2c(=O)[nH]1
Show InChI InChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9?,10-/m1/s1
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor .More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176459(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
Affinity DataKi:  3.20nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM86189(CAS_0 | NSC_0 | OCRF)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)CC)[C@@H](C)O)C(C)C)C(C)O)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C205H339N59O63S/c1-30-103(20)158(197(321)225-106(23)163(214)287)258-192(316)141(87-156(285)286)251-184(308)132(78-99(12)13)246-182(306)130(76-97(8)9)244-172(296)117(47-37-39-68-207)231-170(294)118(48-40-69-221-204(215)216)233-188(312)138(84-150(213)274)250-193(317)142(91-266)255-187(311)136(82-113-88-219-93-223-113)241-165(289)108(25)227-169(293)120(52-59-146(209)270)234-173(297)121(53-60-147(210)271)229-164(288)107(24)228-179(303)128(74-95(4)5)243-176(300)123(55-62-149(212)273)236-189(313)139(85-154(281)282)242-166(290)109(26)226-168(292)116(46-36-38-67-206)239-200(324)161(110(27)268)261-178(302)126(66-73-328-29)238-174(298)124(56-63-151(275)276)237-181(305)133(79-100(14)15)252-196(320)157(102(18)19)257-177(301)125(57-64-152(277)278)235-171(295)119(49-41-70-222-205(217)218)232-180(304)129(75-96(6)7)245-183(307)131(77-98(10)11)247-186(310)137(83-114-89-220-94-224-114)249-185(309)135(81-112-44-34-33-35-45-112)253-201(325)162(111(28)269)262-191(315)134(80-101(16)17)248-190(314)140(86-155(283)284)254-198(322)159(104(21)31-2)259-194(318)143(92-267)256-199(323)160(105(22)32-3)260-195(319)144-50-42-71-263(144)203(327)145-51-43-72-264(145)202(326)127(58-65-153(279)280)240-175(299)122(54-61-148(211)272)230-167(291)115(208)90-265/h33-35,44-45,88-89,93-111,115-145,157-162,265-269H,30-32,36-43,46-87,90-92,206-208H2,1-29H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,287)(H,219,223)(H,220,224)(H,225,321)(H,226,292)(H,227,293)(H,228,303)(H,229,288)(H,230,291)(H,231,294)(H,232,304)(H,233,312)(H,234,297)(H,235,295)(H,236,313)(H,237,305)(H,238,298)(H,239,324)(H,240,299)(H,241,289)(H,242,290)(H,243,300)(H,244,296)(H,245,307)(H,246,306)(H,247,310)(H,248,314)(H,249,309)(H,250,317)(H,251,308)(H,252,320)(H,253,325)(H,254,322)(H,255,311)(H,256,323)(H,257,301)(H,258,316)(H,259,318)(H,260,319)(H,261,302)(H,262,315)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,215,216,221)(H4,217,218,222)/t103-,104?,105-,106-,107-,108-,109-,110?,111+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,157-,158-,159-,160-,161-,162-/m0/s1
Affinity DataKi:  3.30nMMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Agouron Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50059332(2-{3-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-pyrim...)
Show SMILES Nc1nc2NCC(CCc3cccc(c3)C(=O)NC(CCC(O)=O)C(O)=O)Sc2c(=O)[nH]1
Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)32-12(9-22-16)5-4-10-2-1-3-11(8-10)17(28)23-13(19(30)31)6-7-14(26)27/h1-3,8,12-13H,4-7,9H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)
Affinity DataKi:  3.40nMAssay Description:Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor .More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20330(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
Affinity DataKi:  3.40nMAssay Description:Antagonist activity for rat TRPV1 expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  3.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176758(CHEMBL3809527)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-9-1-3-11(4-2-9)20-21-14-13(22)19-15(25-14)18-10-5-7-12(8-6-10)26(17,23)24/h1-8,20H,(H2,17,23,24)(H,18,19,22)/b21-14-
Affinity DataKi:  4.10nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176724(CHEMBL3809540)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
Affinity DataKi:  4.40nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263672(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  4.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM86192(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
Affinity DataKi:  4.90nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263619(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
Affinity DataKi:  5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263725(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
Affinity DataKi:  5.20nMAssay Description:Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176361(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
Affinity DataKi:  5.5nMAssay Description:Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176459(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
Affinity DataKi:  5.60nMAssay Description:Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176361(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
Affinity DataKi:  5.80nMAssay Description:Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Trevena, Inc.

Curated by ChEMBL
LigandPNGBDBM50493818(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
Affinity DataKi:  6nMAssay Description:Binding affinity to human mu opioid receptor by radio-ligand binding assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176724(CHEMBL3809540)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
Affinity DataKi:  6.40nMAssay Description:Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176361(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
Affinity DataKi:  6.40nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176610(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
Affinity DataKi:  6.5nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176456(CHEMBL3810023)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NNc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cs2)cc1
Show InChI InChI=1S/C20H16N8O3S2/c21-10-15-17(12-4-2-1-3-5-12)25-19(26-18(15)29)28-27-16-11-32-20(24-16)23-13-6-8-14(9-7-13)33(22,30)31/h1-9,11,27H,(H,23,24)(H2,22,30,31)(H2,25,26,28,29)
Affinity DataKi:  6.5nMAssay Description:Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176460(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
Affinity DataKi:  6.60nMAssay Description:Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Cairo University

Curated by ChEMBL
LigandPNGBDBM50176458(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
Affinity DataKi:  6.70nMAssay Description:Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM86192(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
Affinity DataKi:  6.80nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263724(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
Affinity DataKi:  6.80nMAssay Description:Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...More data for this Ligand-Target Pair
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