Compile Data Set for Download or QSAR
Found 50 Enz. Inhib. hit(s) with all data for entry = 50014418
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115021(1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...)
Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1
Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)
Affinity DataKi:  167nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142464(1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-pyrro...)
Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
Show InChI InChI=1S/C22H25FN4O/c23-20-7-5-17(6-8-20)13-19-9-12-27(16-19)11-2-10-25-22(28)26-21-4-1-3-18(14-21)15-24/h1,3-8,14,19H,2,9-13,16H2,(H2,25,26,28)
Affinity DataKi:  178nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115023(1-(3-Acetyl-phenyl)-3-{3-[4-(4-fluoro-benzyl)-pipe...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C24H30FN3O2/c1-18(29)21-4-2-5-23(17-21)27-24(30)26-12-3-13-28-14-10-20(11-15-28)16-19-6-8-22(25)9-7-19/h2,4-9,17,20H,3,10-16H2,1H3,(H2,26,27,30)
Affinity DataKi:  193nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115071(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-21(17-22)26-23(28)25-12-3-13-27-14-10-19(11-15-27)16-18-6-8-20(24)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,25,26,28)
Affinity DataKi:  224nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115090(1-[3-(4-Benzyl-piperidin-1-yl)-propyl]-3-(3-methox...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H31N3O2/c1-28-22-10-5-9-21(18-22)25-23(27)24-13-6-14-26-15-11-20(12-16-26)17-19-7-3-2-4-8-19/h2-5,7-10,18,20H,6,11-17H2,1H3,(H2,24,25,27)
Affinity DataKi:  613nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115010(1-[3-(4-Benzyl-piperidin-1-yl)-propyl]-3-(3-cyano-...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H28N4O/c24-18-21-8-4-9-22(17-21)26-23(28)25-12-5-13-27-14-10-20(11-15-27)16-19-6-2-1-3-7-19/h1-4,6-9,17,20H,5,10-16H2,(H2,25,26,28)
Affinity DataKi:  770nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142459(1-[3-(3-Benzyl-piperidin-1-yl)-propyl]-3-(3-methox...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1
Show InChI InChI=1S/C23H31N3O2/c1-28-22-12-5-11-21(17-22)25-23(27)24-13-7-15-26-14-6-10-20(18-26)16-19-8-3-2-4-9-19/h2-5,8-9,11-12,17,20H,6-7,10,13-16,18H2,1H3,(H2,24,25,27)
Affinity DataKi:  913nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142448((S)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)/t20-/m0/s1
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142465(1-(3-Cyano-phenyl)-3-{3-[3-(2-fluoro-benzyl)-piper...)
Show SMILES Fc1ccccc1CC1CCCN(CCCNC(=O)Nc2cccc(c2)C#N)C1
Show InChI InChI=1S/C23H27FN4O/c24-22-10-2-1-8-20(22)14-19-7-4-12-28(17-19)13-5-11-26-23(29)27-21-9-3-6-18(15-21)16-25/h1-3,6,8-10,15,19H,4-5,7,11-14,17H2,(H2,26,27,29)
Affinity DataKi:  2.24E+3nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142466(1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-piper...)
Show SMILES Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
Show InChI InChI=1S/C23H27FN4O/c24-21-9-7-18(8-10-21)14-20-5-2-12-28(17-20)13-3-11-26-23(29)27-22-6-1-4-19(15-22)16-25/h1,4,6-10,15,20H,2-3,5,11-14,17H2,(H2,26,27,29)
Affinity DataKi:  2.31E+3nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142455(1-(3-Cyano-phenyl)-3-{3-[3-(2,4-difluoro-benzyl)-p...)
Show SMILES Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)c(F)c1
Show InChI InChI=1S/C23H26F2N4O/c24-20-8-7-19(22(25)14-20)12-18-5-2-10-29(16-18)11-3-9-27-23(30)28-21-6-1-4-17(13-21)15-26/h1,4,6-8,13-14,18H,2-3,5,9-12,16H2,(H2,27,28,30)
Affinity DataKi:  2.36E+3nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142463(1-[3-(3-Benzyl-piperidin-1-yl)-propyl]-3-(3-cyano-...)
Show SMILES O=C(NCCCN1CCCC(Cc2ccccc2)C1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H28N4O/c24-17-20-9-4-11-22(16-20)26-23(28)25-12-6-14-27-13-5-10-21(18-27)15-19-7-2-1-3-8-19/h1-4,7-9,11,16,21H,5-6,10,12-15,18H2,(H2,25,26,28)
Affinity DataKi:  2.94E+3nMAssay Description:Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142453(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-6-2-7-22(16-20)27-24(33)26-12-4-14-32-13-3-5-19(17-32)15-18-8-10-21(25)11-9-18/h2,6-11,16,19H,3-5,12-15,17H2,1H3,(H2,26,27,33)/t19-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142457(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H32FN11O/c1-36-24(30-32-34-36)20-14-21(25-31-33-35-37(25)2)16-23(15-20)29-26(39)28-10-4-12-38-11-3-5-19(17-38)13-18-6-8-22(27)9-7-18/h6-9,14-16,19H,3-5,10-13,17H2,1-2H3,(H2,28,29,39)/t19-/m0/s1
Affinity DataIC50: 0.700nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142445(3-(3-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-p...)
Show SMILES CNC(=O)c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H33FN8O2/c1-28-25(36)21-14-20(24-31-32-33-34(24)2)15-23(16-21)30-26(37)29-10-4-12-35-11-3-5-19(17-35)13-18-6-8-22(27)9-7-18/h6-9,14-16,19H,3-5,10-13,17H2,1-2H3,(H,28,36)(H2,29,30,37)/t19-/m0/s1
Affinity DataIC50: 0.700nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142456(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Cn1nnnc1-c1cc(CO)cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C25H32FN7O2/c1-32-24(29-30-31-32)21-13-20(17-34)14-23(15-21)28-25(35)27-9-3-11-33-10-2-4-19(16-33)12-18-5-7-22(26)8-6-18/h5-8,13-15,19,34H,2-4,9-12,16-17H2,1H3,(H2,27,28,35)/t19-/m0/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142458(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7O/c1-35-23(32-33-34-35)19-13-20(25(27,28)29)15-22(14-19)31-24(37)30-9-3-11-36-10-2-4-18(16-36)12-17-5-7-21(26)8-6-17/h5-8,13-15,18H,2-4,9-12,16H2,1H3,(H2,30,31,37)/t18-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142472(1-[3-(1-Ethyl-1H-tetrazol-5-yl)-phenyl]-3-{3-[(S)-...)
Show SMILES CCn1nnnc1-c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C25H32FN7O/c1-2-33-24(29-30-31-33)21-7-3-8-23(17-21)28-25(34)27-13-5-15-32-14-4-6-20(18-32)16-19-9-11-22(26)12-10-19/h3,7-12,17,20H,2,4-6,13-16,18H2,1H3,(H2,27,28,34)/t20-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142468((S)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES CC(=O)c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C26H32FN3O3/c1-18(31)22-14-23(19(2)32)16-25(15-22)29-26(33)28-10-4-12-30-11-3-5-21(17-30)13-20-6-8-24(27)9-7-20/h6-9,14-16,21H,3-5,10-13,17H2,1-2H3,(H2,28,29,33)/t21-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142444(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES Cc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-18-13-21(24-29-30-31-32(24)2)16-23(14-18)28-25(34)27-10-4-12-33-11-3-5-20(17-33)15-19-6-8-22(26)9-7-19/h6-9,13-14,16,20H,3-5,10-12,15,17H2,1-2H3,(H2,27,28,34)/t20-/m0/s1
Affinity DataIC50: 1.5nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142469(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1ccccc1
Show InChI InChI=1S/C30H34FN7O/c1-37-29(34-35-36-37)26-18-25(24-8-3-2-4-9-24)19-28(20-26)33-30(39)32-14-6-16-38-15-5-7-23(21-38)17-22-10-12-27(31)13-11-22/h2-4,8-13,18-20,23H,5-7,14-17,21H2,1H3,(H2,32,33,39)/t23-/m0/s1
Affinity DataIC50: 2.40nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142448((S)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)/t20-/m0/s1
Affinity DataIC50: 2.5nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142451(1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)...)
Show SMILES CC(=O)c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H32FN7O2/c1-18(35)21-14-22(25-30-31-32-33(25)2)16-24(15-21)29-26(36)28-10-4-12-34-11-3-5-20(17-34)13-19-6-8-23(27)9-7-19/h6-9,14-16,20H,3-5,10-13,17H2,1-2H3,(H2,28,29,36)/t20-/m0/s1
Affinity DataIC50: 2.60nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142461(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES CC(C)n1nnnc1-c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C26H34FN7O/c1-19(2)34-25(30-31-32-34)22-7-3-8-24(17-22)29-26(35)28-13-5-15-33-14-4-6-21(18-33)16-20-9-11-23(27)12-10-20/h3,7-12,17,19,21H,4-6,13-16,18H2,1-2H3,(H2,28,29,35)/t21-/m0/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142447(1-[3-Bromo-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES Cn1nnnc1-c1cc(Br)cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H29BrFN7O/c1-32-23(29-30-31-32)19-13-20(25)15-22(14-19)28-24(34)27-9-3-11-33-10-2-4-18(16-33)12-17-5-7-21(26)8-6-17/h5-8,13-15,18H,2-4,9-12,16H2,1H3,(H2,27,28,34)/t18-/m0/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142446(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(CCCNC(=O)Nc3cccc(c3)-c3nnco3)C2)cc1
Show InChI InChI=1S/C24H28FN5O2/c25-21-9-7-18(8-10-21)14-19-4-2-12-30(16-19)13-3-11-26-24(31)28-22-6-1-5-20(15-22)23-29-27-17-32-23/h1,5-10,15,17,19H,2-4,11-14,16H2,(H2,26,28,31)/t19-/m0/s1
Affinity DataIC50: 3.60nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115032(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-4-2-5-22(17-20)27-24(33)26-12-3-13-32-14-10-19(11-15-32)16-18-6-8-21(25)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,26,27,33)
Affinity DataIC50: 5nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142470(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(CCCNC(=O)Nc3cccc(c3)-n3ccnc3)C2)cc1
Show InChI InChI=1S/C25H30FN5O/c26-22-9-7-20(8-10-22)16-21-4-2-13-30(18-21)14-3-11-28-25(32)29-23-5-1-6-24(17-23)31-15-12-27-19-31/h1,5-10,12,15,17,19,21H,2-4,11,13-14,16,18H2,(H2,28,29,32)/t21-/m0/s1
Affinity DataIC50: 7.10nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142460(1-(3-Acetyl-phenyl)-3-{3-[3-(4-fluoro-benzyl)-8-az...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2[C@H]3CC[C@@H]2C[C@H](Cc2ccc(F)cc2)C3)c1
Show InChI InChI=1S/C26H32FN3O2/c1-18(31)21-4-2-5-23(17-21)29-26(32)28-12-3-13-30-24-10-11-25(30)16-20(15-24)14-19-6-8-22(27)9-7-19/h2,4-9,17,20,24-25H,3,10-16H2,1H3,(H2,28,29,32)/t20-,24+,25-
Affinity DataIC50: 7.40nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142471(1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-prop...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(CCCNC(=O)Nc3cccc(c3)-c3cnco3)C2)cc1
Show InChI InChI=1S/C25H29FN4O2/c26-22-9-7-19(8-10-22)14-20-4-2-12-30(17-20)13-3-11-28-25(31)29-23-6-1-5-21(15-23)24-16-27-18-32-24/h1,5-10,15-16,18,20H,2-4,11-14,17H2,(H2,28,29,31)/t20-/m0/s1
Affinity DataIC50: 7.90nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115023(1-(3-Acetyl-phenyl)-3-{3-[4-(4-fluoro-benzyl)-pipe...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C24H30FN3O2/c1-18(29)21-4-2-5-23(17-21)27-24(30)26-12-3-13-28-14-10-20(11-15-28)16-19-6-8-22(25)9-7-19/h2,4-9,17,20H,3,10-16H2,1H3,(H2,26,27,30)
Affinity DataIC50: 10nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142455(1-(3-Cyano-phenyl)-3-{3-[3-(2,4-difluoro-benzyl)-p...)
Show SMILES Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)c(F)c1
Show InChI InChI=1S/C23H26F2N4O/c24-20-8-7-19(22(25)14-20)12-18-5-2-10-29(16-18)11-3-9-27-23(30)28-21-6-1-4-17(13-21)15-26/h1,4,6-8,13-14,18H,2-3,5,9-12,16H2,(H2,27,28,30)
Affinity DataIC50: 19nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115021(1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...)
Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1
Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)
Affinity DataIC50: 20nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142466(1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-piper...)
Show SMILES Fc1ccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
Show InChI InChI=1S/C23H27FN4O/c24-21-9-7-18(8-10-21)14-20-5-2-12-28(17-20)13-3-11-26-23(29)27-22-6-1-4-19(15-22)16-25/h1,4,6-10,15,20H,2-3,5,11-14,17H2,(H2,26,27,29)
Affinity DataIC50: 29nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115071(1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-21(17-22)26-23(28)25-12-3-13-27-14-10-19(11-15-27)16-18-6-8-20(24)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,25,26,28)
Affinity DataIC50: 30nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142464(1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-pyrro...)
Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)cc1
Show InChI InChI=1S/C22H25FN4O/c23-20-7-5-17(6-8-20)13-19-9-12-27(16-19)11-2-10-25-22(28)26-21-4-1-3-18(14-21)15-24/h1,3-8,14,19H,2,9-13,16H2,(H2,25,26,28)
Affinity DataIC50: 31nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142465(1-(3-Cyano-phenyl)-3-{3-[3-(2-fluoro-benzyl)-piper...)
Show SMILES Fc1ccccc1CC1CCCN(CCCNC(=O)Nc2cccc(c2)C#N)C1
Show InChI InChI=1S/C23H27FN4O/c24-22-10-2-1-8-20(22)14-19-7-4-12-28(17-19)13-5-11-26-23(29)27-21-9-3-6-18(15-21)16-25/h1-3,6,8-10,15,19H,4-5,7,11-14,17H2,(H2,26,27,29)
Affinity DataIC50: 38nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142467(1-(3-Acetyl-phenyl)-3-{3-[(R)-3-(4-fluoro-benzyl)-...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)/t20-/m1/s1
Affinity DataIC50: 39nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142449(1-(3-Acetyl-phenyl)-3-{3-[4-(4-fluoro-benzyl)-2-az...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CC3(Cc4ccc(F)cc4)CCC2CC3)c1
Show InChI InChI=1S/C26H32FN3O2/c1-19(31)21-4-2-5-23(16-21)29-25(32)28-14-3-15-30-18-26(12-10-24(30)11-13-26)17-20-6-8-22(27)9-7-20/h2,4-9,16,24H,3,10-15,17-18H2,1H3,(H2,28,29,32)
Affinity DataIC50: 39nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142463(1-[3-(3-Benzyl-piperidin-1-yl)-propyl]-3-(3-cyano-...)
Show SMILES O=C(NCCCN1CCCC(Cc2ccccc2)C1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H28N4O/c24-17-20-9-4-11-22(16-20)26-23(28)25-12-6-14-27-13-5-10-21(18-27)15-19-7-2-1-3-8-19/h1-4,7-9,11,16,21H,5-6,10,12-15,18H2,(H2,25,26,28)
Affinity DataIC50: 41nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142460(1-(3-Acetyl-phenyl)-3-{3-[3-(4-fluoro-benzyl)-8-az...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2[C@H]3CC[C@@H]2C[C@H](Cc2ccc(F)cc2)C3)c1
Show InChI InChI=1S/C26H32FN3O2/c1-18(31)21-4-2-5-23(17-21)29-26(32)28-12-3-13-30-24-10-11-25(30)16-20(15-24)14-19-6-8-22(27)9-7-19/h2,4-9,17,20,24-25H,3,10-16H2,1H3,(H2,28,29,32)/t20-,24+,25-
Affinity DataIC50: 47nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142462(1-(3-Acetyl-phenyl)-3-[3-((3aR,9aR)-6-fluoro-1,3,3...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2C[C@@H]3Cc4ccc(F)cc4C[C@H]3C2)c1
Show InChI InChI=1S/C24H28FN3O2/c1-16(29)17-4-2-5-23(13-17)27-24(30)26-8-3-9-28-14-20-10-18-6-7-22(25)12-19(18)11-21(20)15-28/h2,4-7,12-13,20-21H,3,8-11,14-15H2,1H3,(H2,26,27,30)/t20-,21-/m0/s1
Affinity DataIC50: 49nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142459(1-[3-(3-Benzyl-piperidin-1-yl)-propyl]-3-(3-methox...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1
Show InChI InChI=1S/C23H31N3O2/c1-28-22-12-5-11-21(17-22)25-23(27)24-13-7-15-26-14-6-10-20(18-26)16-19-8-3-2-4-9-19/h2-5,8-9,11-12,17,20H,6-7,10,13-16,18H2,1H3,(H2,24,25,27)
Affinity DataIC50: 55nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142454(1-(3-Acetyl-phenyl)-3-[3-((3aR,9aS)-6-fluoro-1,3,3...)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2C[C@H]3Cc4ccc(F)cc4C[C@H]3C2)c1
Show InChI InChI=1S/C24H28FN3O2/c1-16(29)17-4-2-5-23(13-17)27-24(30)26-8-3-9-28-14-20-10-18-6-7-22(25)12-19(18)11-21(20)15-28/h2,4-7,12-13,20-21H,3,8-11,14-15H2,1H3,(H2,26,27,30)/t20-,21+/m1/s1
Affinity DataIC50: 56nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50404327(CHEMBL2114958)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CC3CCC2[C@@H](Cc2ccc(F)cc2)C3)c1
Show InChI InChI=1S/C26H32FN3O2/c1-18(31)21-4-2-5-24(16-21)29-26(32)28-12-3-13-30-17-20-8-11-25(30)22(15-20)14-19-6-9-23(27)10-7-19/h2,4-7,9-10,16,20,22,25H,3,8,11-15,17H2,1H3,(H2,28,29,32)/t20?,22-,25?/m0/s1
Affinity DataIC50: 169nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115010(1-[3-(4-Benzyl-piperidin-1-yl)-propyl]-3-(3-cyano-...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H28N4O/c24-18-21-8-4-9-22(17-21)26-23(28)25-12-5-13-27-14-10-20(11-15-27)16-19-6-2-1-3-7-19/h1-4,6-9,17,20H,5,10-16H2,(H2,25,26,28)
Affinity DataIC50: 200nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142452(1-(3-Cyano-phenyl)-3-{3-[3-(3-fluoro-benzyl)-piper...)
Show SMILES Fc1cccc(CC2CCCN(CCCNC(=O)Nc3cccc(c3)C#N)C2)c1
Show InChI InChI=1S/C23H27FN4O/c24-21-8-1-5-18(14-21)13-20-7-3-11-28(17-20)12-4-10-26-23(29)27-22-9-2-6-19(15-22)16-25/h1-2,5-6,8-9,14-15,20H,3-4,7,10-13,17H2,(H2,26,27,29)
Affinity DataIC50: 243nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50115090(1-[3-(4-Benzyl-piperidin-1-yl)-propyl]-3-(3-methox...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C23H31N3O2/c1-28-22-10-5-9-21(18-22)25-23(27)24-13-6-14-26-15-11-20(12-16-26)17-19-7-3-2-4-8-19/h2-5,7-10,18,20H,6,11-17H2,1H3,(H2,24,25,27)
Affinity DataIC50: 300nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50142450(1-(3-Methoxy-phenyl)-3-[3-(3-phenethyl-piperidin-1...)
Show SMILES COc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
Show InChI InChI=1S/C24H33N3O2/c1-29-23-12-5-11-22(18-23)26-24(28)25-15-7-17-27-16-6-10-21(19-27)14-13-20-8-3-2-4-9-20/h2-5,8-9,11-12,18,21H,6-7,10,13-17,19H2,1H3,(H2,25,26,28)
Affinity DataIC50: 787nMAssay Description:Binding affinity of the compound against serotonin 5-hydroxytryptamine 2A receptor was determined using human [125I]-eotaxinMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50404328(CHEMBL2115412)
Show SMILES CC(=O)c1cccc(NC(=O)NCCCN2CC3CCC2[C@H](Cc2ccc(F)cc2)C3)c1
Show InChI InChI=1S/C26H32FN3O2/c1-18(31)21-4-2-5-24(16-21)29-26(32)28-12-3-13-30-17-20-8-11-25(30)22(15-20)14-19-6-9-23(27)10-7-19/h2,4-7,9-10,16,20,22,25H,3,8,11-15,17H2,1H3,(H2,28,29,32)/t20?,22-,25?/m1/s1
Affinity DataIC50: 802nMAssay Description:Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.More data for this Ligand-Target Pair