Found 153 hits with Last Name = 'belyakov' and Initial = 's' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Displacement of [3H]DTG from sigma 1 receptor (unknown origin) |
Bioorg Med Chem 21: 2764-71 (2013)
Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151506
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151506
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151507
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-2,5-6,9-12,21-22,26,28-30,35H,3-4,7-8,13-20H2,(H,37,41)/t26?,28?,29-,30?/m1/s1 | PDB
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| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151505
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1 | PDB
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151509
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28+,29+/m1/s1 | PDB
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| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447846
(CHEMBL3114555)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O3S/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151510
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCCC2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-10-8-24(9-11-27)18-29(37-30(41)28-19-25-6-2-3-7-26(25)20-35-28)31(42)38-14-16-39(17-15-38)32(12-4-1-5-13-32)21-40-23-34-22-36-40/h2-3,6-11,22-23,28-29,35H,1,4-5,12-21H2,(H,37,41)/t28?,29-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151504
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447851
(CHEMBL3114560)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O3/c1-19(2,3)16(24)18(26)23-8-4-5-15(23)17(25)22-11-13-9-14(20)7-6-12(13)10-21/h6-7,9,15-16,24H,4-5,8,10-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151505
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447850
(CHEMBL3114559)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C20H30ClN3O3/c1-20(2,3)17(25)19(27)24-9-5-4-6-16(24)18(26)23-12-14-10-15(21)8-7-13(14)11-22/h7-8,10,16-17,25H,4-6,9,11-12,22H2,1-3H3,(H,23,26)/t16-,17-/m0/s1 | PDB
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151506
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151507
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-2,5-6,9-12,21-22,26,28-30,35H,3-4,7-8,13-20H2,(H,37,41)/t26?,28?,29-,30?/m1/s1 | PDB
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| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151509
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28+,29+/m1/s1 | PDB
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PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447845
(CHEMBL3114553)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O5S/c1-19(2,3)16(24)18(26)23-6-7-29(27,28)11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151510
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCCC2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-10-8-24(9-11-27)18-29(37-30(41)28-19-25-6-2-3-7-26(25)20-35-28)31(42)38-14-16-39(17-15-38)32(12-4-1-5-13-32)21-40-23-34-22-36-40/h2-3,6-11,22-23,28-29,35H,1,4-5,12-21H2,(H,37,41)/t28?,29-/m1/s1 | PDB
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PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447848
(CHEMBL3114557)Show SMILES CN1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@H](O)C(C)(C)C |r| Show InChI InChI=1S/C20H31ClN4O3/c1-20(2,3)17(26)19(28)25-8-7-24(4)12-16(25)18(27)23-11-14-9-15(21)6-5-13(14)10-22/h5-6,9,16-17,26H,7-8,10-12,22H2,1-4H3,(H,23,27)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447847
(CHEMBL3114556)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O4/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC sid
UniChem
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50447849
(CHEMBL3114558)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H29ClN4O3/c1-19(2,3)16(25)18(27)24-7-6-22-11-15(24)17(26)23-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,22,25H,6-7,9-11,21H2,1-3H3,(H,23,26)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151506
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1 | PDB
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| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151511
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1 | PDB
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| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151507
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-2,5-6,9-12,21-22,26,28-30,35H,3-4,7-8,13-20H2,(H,37,41)/t26?,28?,29-,30?/m1/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151510
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCCC2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-10-8-24(9-11-27)18-29(37-30(41)28-19-25-6-2-3-7-26(25)20-35-28)31(42)38-14-16-39(17-15-38)32(12-4-1-5-13-32)21-40-23-34-22-36-40/h2-3,6-11,22-23,28-29,35H,1,4-5,12-21H2,(H,37,41)/t28?,29-/m1/s1 | PDB
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PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151509
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28+,29+/m1/s1 | PDB
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PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151504
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
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antibodypedia
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| CHEMBL
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PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151504
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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Similars
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PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151505
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1 | PDB
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| CHEMBL
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PC sid
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Similars
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PubMed
| 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151506
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
Similars
| Article
PubMed
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151504
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C29H37ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h4-7,10-13,25-27,31H,1-3,8-9,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
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| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50151502
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151510
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCCC2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-10-8-24(9-11-27)18-29(37-30(41)28-19-25-6-2-3-7-26(25)20-35-28)31(42)38-14-16-39(17-15-38)32(12-4-1-5-13-32)21-40-23-34-22-36-40/h2-3,6-11,22-23,28-29,35H,1,4-5,12-21H2,(H,37,41)/t28?,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447847
(CHEMBL3114556)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O4/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151502
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447851
(CHEMBL3114560)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O3/c1-19(2,3)16(24)18(26)23-8-4-5-15(23)17(25)22-11-13-9-14(20)7-6-12(13)10-21/h6-7,9,15-16,24H,4-5,8,10-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447850
(CHEMBL3114559)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C20H30ClN3O3/c1-20(2,3)17(25)19(27)24-9-5-4-6-16(24)18(26)23-12-14-10-15(21)8-7-13(14)11-22/h7-8,10,16-17,25H,4-6,9,11-12,22H2,1-3H3,(H,23,26)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447849
(CHEMBL3114558)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H29ClN4O3/c1-19(2,3)16(25)18(27)24-7-6-22-11-15(24)17(26)23-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,22,25H,6-7,9-11,21H2,1-3H3,(H,23,26)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447848
(CHEMBL3114557)Show SMILES CN1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@H](O)C(C)(C)C |r| Show InChI InChI=1S/C20H31ClN4O3/c1-20(2,3)17(26)19(28)25-8-7-24(4)12-16(25)18(27)23-11-14-9-15(21)6-5-13(14)10-22/h5-6,9,16-17,26H,7-8,10-12,22H2,1-4H3,(H,23,27)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447846
(CHEMBL3114555)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O3S/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50447845
(CHEMBL3114553)Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H28ClN3O5S/c1-19(2,3)16(24)18(26)23-6-7-29(27,28)11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) |
Bioorg Med Chem Lett 24: 1111-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151507
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1 Show InChI InChI=1S/C32H40ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-2,5-6,9-12,21-22,26,28-30,35H,3-4,7-8,13-20H2,(H,37,41)/t26?,28?,29-,30?/m1/s1 | PDB
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| CHEMBL
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| Article
PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151509
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28+,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151502
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50151505
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1 Show InChI InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50151502
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50151503
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show SMILES [O-][N+]1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CN1)c1ccccc1 Show InChI InChI=1S/C29H31ClN4O3/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)33-14-16-34(37,17-15-33)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26?,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH |
J Med Chem 47: 4613-26 (2004)
Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ |
More data for this
Ligand-Target Pair | |
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