Compile Data Set for Download or QSAR
Found 595 with Last Name = 'matsui' and Initial = 't'
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
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:  1nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330441(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
Affinity DataKi:  4.72nMAssay Description:Binding affinity to human 5HT3 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330444(3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2
Affinity DataIC50: 1.30nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330441(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
Affinity DataIC50: 1.40nMAssay Description:Displacement of 8-hydroxy-[3H]DPAT from human recombinant 5HT1A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330441(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
Affinity DataIC50: 1.40nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330445(7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3
Affinity DataIC50: 2.5nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351393(CHEMBL1819083)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C22H25ClF2N4O/c1-4-13(5-2)26-20-16-7-6-8-18(16)27-21-19(12(3)28-29(20)21)15-10-9-14(11-17(15)23)30-22(24)25/h9-11,13,22,26H,4-8H2,1-3H3
Affinity DataIC50: 3nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003815(CHEMBL3235321)
Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O3/c1-23(2)19(30-18-20(29)31-22(25(26,27)28)32-21(18)35-23)15-3-4-16-14(12-15)7-10-24(16)8-5-13(6-9-24)11-17(33)34/h3-4,12-13H,5-11H2,1-2H3,(H,33,34)(H2,29,31,32)/t13-,24-
Affinity DataIC50: 3nMAssay Description:Inhibition of DGAT1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM27947(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
Affinity DataIC50: 4nMAssay Description:Inhibition of DGAT1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003815(CHEMBL3235321)
Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O3/c1-23(2)19(30-18-20(29)31-22(25(26,27)28)32-21(18)35-23)15-3-4-16-14(12-15)7-10-24(16)8-5-13(6-9-24)11-17(33)34/h3-4,12-13H,5-11H2,1-2H3,(H,33,34)(H2,29,31,32)/t13-,24-
Affinity DataIC50: 4nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351387(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
Affinity DataIC50: 4nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330446(3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3
Affinity DataIC50: 4.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330447(3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-y...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3
Affinity DataIC50: 4.30nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003860(CHEMBL3235317)
Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O3/c1-22(2)18(28-17-19(27)29-21(23(24,25)26)30-20(17)33-22)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(31)32/h7-10,12-13H,3-6,11H2,1-2H3,(H,31,32)(H2,27,29,30)/t12-,13-
Affinity DataIC50: 5nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330448(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O
Show InChI InChI=1S/C25H29N7OS2/c26-32-24(33)22-18-8-9-27-16-20(18)35-23(22)29-25(32)34-15-3-10-30-11-13-31(14-12-30)21-7-6-17-4-1-2-5-19(17)28-21/h1-2,4-7,27H,3,8-16,26H2
Affinity DataIC50: 5.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330440(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2
Affinity DataIC50: 5.60nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351394(CHEMBL1819084)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C20H25ClN4O/c1-6-14(7-2)23-18-10-12(3)22-20-19(13(4)24-25(18)20)16-9-8-15(26-5)11-17(16)21/h8-11,14,23H,6-7H2,1-5H3
Affinity DataIC50: 6nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM27947(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
Affinity DataIC50: 6nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003857(CHEMBL3235314)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CCC(O)=O)CC1
Show InChI InChI=1S/C23H28N4O3/c1-23(2)20(27-19-21(24)25-13-26-22(19)30-23)17-10-8-16(9-11-17)15-6-3-14(4-7-15)5-12-18(28)29/h8-11,13-15H,3-7,12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15-
Affinity DataIC50: 6nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003858(CHEMBL3235315)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H20N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h3-10,12H,11H2,1-2H3,(H,27,28)(H2,23,24,25)
Affinity DataIC50: 6nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330449(3-Amino-5,6-dimethyl-2-[3-[4-(5,6,7,8-tetrahydroqu...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H32N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h8-9H,3-7,10-15,25H2,1-2H3
Affinity DataIC50: 6.10nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330450(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
Affinity DataIC50: 6.20nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351396(CHEMBL1819086)
Show SMILES CCC(CC)Nc1c2OCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-21-19-17(9-10-28-19)24-20-18(12(3)25-26(20)21)15-8-7-14(27-4)11-16(15)22/h7-8,11,13,23H,5-6,9-10H2,1-4H3
Affinity DataIC50: 7nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Rattus norvegicus (rat))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351387(CHEMBL1819077)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3
Affinity DataIC50: 7nMAssay Description:Displacement of [125I]CRF from corticotropin-releasing factor receptor 1 in rat brain membranes after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003862(CHEMBL3235319)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1
Show InChI InChI=1S/C22H26N8O/c1-22(2)19(26-18-20(23)24-12-25-21(18)31-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17-27-29-30-28-17/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,24,25)(H,27,28,29,30)/t13-,14-
Affinity DataIC50: 7nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330451(5-Amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl...)
Show SMILES Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2
Affinity DataIC50: 7.60nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003859(CHEMBL3235316)
Show SMILES Cc1nc(N)c2N=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1
Show InChI InChI=1S/C23H28N4O3/c1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26)/t14-,15-
Affinity DataIC50: 8nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003864(CHEMBL3235322)
Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-23(2)19(12-18-21(24)25-13-26-22(18)29-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-20(27)28/h7-10,12-15H,3-6,11H2,1-2H3,(H,27,28)(H2,24,25,26)/t14-,15-
Affinity DataIC50: 8nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330441(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
Affinity DataIC50: 8.90nMAssay Description:Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330441(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
Affinity DataIC50: 8.93nMAssay Description:Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptorMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003713(CHEMBL3235323)
Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1
Show InChI InChI=1S/C25H29N3O3/c1-24(2)20(13-18-22(26)27-14-28-23(18)31-24)16-3-4-19-17(12-16)7-10-25(19)8-5-15(6-9-25)11-21(29)30/h3-4,12-15H,5-11H2,1-2H3,(H,29,30)(H2,26,27,28)/t15-,25-
Affinity DataIC50: 9nMAssay Description:Inhibition of DGAT1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351386(CHEMBL1819076)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C24H32N4O/c1-7-17(8-2)25-23-19-10-9-11-20(19)26-24-22(16(5)27-28(23)24)21-14(3)12-18(29-6)13-15(21)4/h12-13,17,25H,7-11H2,1-6H3
Affinity DataIC50: 9nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003856(CHEMBL3235313)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C21H24N4O3/c1-21(2)17(25-16-18(22)23-11-24-19(16)28-21)14-7-3-12(4-8-14)13-5-9-15(10-6-13)20(26)27/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3,(H,26,27)(H2,22,23,24)/t13-,15-
Affinity DataIC50: 10nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
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 DataIC50: 10nMAssay Description:Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP productio...More data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003713(CHEMBL3235323)
Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1
Show InChI InChI=1S/C25H29N3O3/c1-24(2)20(13-18-22(26)27-14-28-23(18)31-24)16-3-4-19-17(12-16)7-10-25(19)8-5-15(6-9-25)11-21(29)30/h3-4,12-15H,5-11H2,1-2H3,(H,29,30)(H2,26,27,28)/t15-,25-
Affinity DataIC50: 13nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330452(3-Amino-5-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-10-22-25(19)26(33)32(27)24(29-22)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-9-21(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
Affinity DataIC50: 13.5nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351391(CHEMBL1819081)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC(F)(F)F)cc1Cl
Show InChI InChI=1S/C22H24ClF3N4O/c1-4-13(5-2)27-20-16-7-6-8-18(16)28-21-19(12(3)29-30(20)21)15-10-9-14(11-17(15)23)31-22(24,25)26/h9-11,13,27H,4-8H2,1-3H3
Affinity DataIC50: 15nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003861(CHEMBL3235318)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1
Show InChI InChI=1S/C22H27N5O2/c1-22(2)19(27-18-20(24)25-12-26-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(23)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,28)(H2,24,25,26)/t13-,14-
Affinity DataIC50: 15nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330454(3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2c1nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-9-21-25(19)29-24(32(27)26(21)33)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-10-22(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
Affinity DataIC50: 15.6nMAssay Description:Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330455(3-Amino-7-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C25H27ClN6O/c26-19-9-10-20-22(17-19)29-24(32(27)25(20)33)7-3-4-12-30-13-15-31(16-14-30)23-11-8-18-5-1-2-6-21(18)28-23/h1-2,5-6,8-11,17H,3-4,7,12-16,27H2
Affinity DataIC50: 18nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003863(CHEMBL3235320)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CS(N)(=O)=O)CC1
Show InChI InChI=1S/C21H27N5O3S/c1-21(2)18(26-17-19(22)24-12-25-20(17)29-21)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-30(23,27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,22,24,25)(H2,23,27,28)/t13-,14-
Affinity DataIC50: 20nMAssay Description:Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPAMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351397(CHEMBL1819087)
Show SMILES CCC(CC)Nc1c2COCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-20-16-10-28-11-18(16)24-21-19(12(3)25-26(20)21)15-8-7-14(27-4)9-17(15)22/h7-9,13,23H,5-6,10-11H2,1-4H3
Affinity DataIC50: 22nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351385(CHEMBL1819075)
Show SMILES CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1cc(C)c(OC)cc1C
Show InChI InChI=1S/C24H32N4O/c1-7-17(8-2)25-23-18-10-9-11-20(18)26-24-22(16(5)27-28(23)24)19-12-15(4)21(29-6)13-14(19)3/h12-13,17,25H,7-11H2,1-6H3
Affinity DataIC50: 22nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330456(7-Acetyl-3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C28H33N7O2S/c1-19(36)34-13-11-21-23(18-34)38-27-26(21)28(37)35(29)25(31-27)8-4-5-12-32-14-16-33(17-15-32)24-10-9-20-6-2-3-7-22(20)30-24/h2-3,6-7,9-10H,4-5,8,11-18,29H2,1H3
Affinity DataIC50: 22.1nMAssay Description:Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330457(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2
Affinity DataIC50: 24.4nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330450(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
Affinity DataIC50: 24.6nMAssay Description:Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50330458(3-Amino-5,6-dimethyl-2-[4-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS/c1-17-18(2)33-24-23(17)25(32)31(26)22(28-24)9-5-6-12-29-13-15-30(16-14-29)21-11-10-19-7-3-4-8-20(19)27-21/h3-4,7-8,10-11H,5-6,9,12-16,26H2,1-2H3
Affinity DataIC50: 26.7nMAssay Description:Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003859(CHEMBL3235316)
Show SMILES Cc1nc(N)c2N=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1
Show InChI InChI=1S/C23H28N4O3/c1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26)/t14-,15-
Affinity DataIC50: 30nMAssay Description:Inhibition of DGAT1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351371(CHEMBL1819061)
Show SMILES CCC(CC)Nc1c2OCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C22H28N4O2/c1-6-15(7-2)23-22-20-18(10-11-28-20)24-21-19(14(4)25-26(21)22)17-9-8-16(27-5)12-13(17)3/h8-9,12,15,23H,6-7,10-11H2,1-5H3
Affinity DataIC50: 31nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Minase Research Institute

Curated by ChEMBL
LigandPNGBDBM50351374(CHEMBL1819064)
Show SMILES CCC(CC)Nc1c2COCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C22H28N4O2/c1-6-15(7-2)23-21-18-11-28-12-19(18)24-22-20(14(4)25-26(21)22)17-9-8-16(27-5)10-13(17)3/h8-10,15,23H,6-7,11-12H2,1-5H3
Affinity DataIC50: 35nMAssay Description:Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
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