Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50015192   

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))	BDBM50152808 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 |r| Show InChI InChI=1S/C36H40ClN5O2S/c37-30-13-11-26(12-14-30)22-33(40-35(43)32-23-27-6-1-2-7-28(27)25-39-32)36(44)42-19-17-41(18-20-42)34-10-4-3-8-29(34)24-38-16-15-31-9-5-21-45-31/h1-14,21,32-33,38-39H,15-20,22-25H2,(H,40,43)/t32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152800 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NC1CCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C36H44ClN5O2/c1-25(39-30-10-4-5-11-30)31-12-6-7-13-34(31)41-18-20-42(21-19-41)36(44)33(22-26-14-16-29(37)17-15-26)40-35(43)32-23-27-8-2-3-9-28(27)24-38-32/h2-3,6-9,12-17,25,30,32-33,38-39H,4-5,10-11,18-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152807 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NCc1ccco1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C36H40ClN5O3/c1-25(38-24-30-9-6-20-45-30)31-10-4-5-11-34(31)41-16-18-42(19-17-41)36(44)33(21-26-12-14-29(37)15-13-26)40-35(43)32-22-27-7-2-3-8-28(27)23-39-32/h2-15,20,25,32-33,38-39H,16-19,21-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152816 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Fc1cccc(CCNCc2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c1 Show InChI InChI=1S/C38H41ClFN5O2/c39-32-14-12-28(13-15-32)23-35(43-37(46)34-24-29-7-1-2-8-30(29)26-42-34)38(47)45-20-18-44(19-21-45)36-11-4-3-9-31(36)25-41-17-16-27-6-5-10-33(40)22-27/h1-15,22,34-35,41-42H,16-21,23-26H2,(H,43,46)/t34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152813 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES C[C@H]1CN(Cc2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)[C@@H](C)CN1 Show InChI InChI=1S/C36H45ClN6O2/c1-25-23-43(26(2)21-38-25)24-30-9-5-6-10-34(30)41-15-17-42(18-16-41)36(45)33(19-27-11-13-31(37)14-12-27)40-35(44)32-20-28-7-3-4-8-29(28)22-39-32/h3-14,25-26,32-33,38-39H,15-24H2,1-2H3,(H,40,44)/t25-,26-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152817 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C34H40ClN5O2/c1-23(37-28-14-15-28)29-8-4-5-9-32(29)39-16-18-40(19-17-39)34(42)31(20-24-10-12-27(35)13-11-24)38-33(41)30-21-25-6-2-3-7-26(25)22-36-30/h2-13,23,28,30-31,36-37H,14-22H2,1H3,(H,38,41)/t23?,30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152818 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50119368 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152820 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NCCc1ccccc1F)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C39H43ClFN5O2/c1-27(42-19-18-29-8-4-6-12-34(29)41)33-11-5-7-13-37(33)45-20-22-46(23-21-45)39(48)36(24-28-14-16-32(40)17-15-28)44-38(47)35-25-30-9-2-3-10-31(30)26-43-35/h2-17,27,35-36,42-43H,18-26H2,1H3,(H,44,47)/t27?,35-,36-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50139027 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CCN(CC)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C34H42ClN5O2/c1-3-38(4-2)24-28-11-7-8-12-32(28)39-17-19-40(20-18-39)34(42)31(21-25-13-15-29(35)16-14-25)37-33(41)30-22-26-9-5-6-10-27(26)23-36-30/h5-16,30-31,36H,3-4,17-24H2,1-2H3,(H,37,41)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152794 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNC2CCCC2)cc1 Show InChI InChI=1S/C35H42ClN5O2/c36-29-15-13-25(14-16-29)21-32(39-34(42)31-22-26-7-1-2-8-27(26)23-38-31)35(43)41-19-17-40(18-20-41)33-12-6-3-9-28(33)24-37-30-10-4-5-11-30/h1-3,6-9,12-16,30-32,37-38H,4-5,10-11,17-24H2,(H,39,42)/t31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152798 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CN(Cc1cccnc1)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C37H41ClN6O2/c1-42(25-28-7-6-16-39-23-28)26-31-10-4-5-11-35(31)43-17-19-44(20-18-43)37(46)34(21-27-12-14-32(38)15-13-27)41-36(45)33-22-29-8-2-3-9-30(29)24-40-33/h2-16,23,33-34,40H,17-22,24-26H2,1H3,(H,41,45)/t33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152821 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CN(Cc1ccccc1)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C38H42ClN5O2/c1-42(26-29-9-3-2-4-10-29)27-32-13-7-8-14-36(32)43-19-21-44(22-20-43)38(46)35(23-28-15-17-33(39)18-16-28)41-37(45)34-24-30-11-5-6-12-31(30)25-40-34/h2-18,34-35,40H,19-27H2,1H3,(H,41,45)/t34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152812 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNC2CC2)cc1 Show InChI InChI=1S/C33H38ClN5O2/c34-27-11-9-23(10-12-27)19-30(37-32(40)29-20-24-5-1-2-6-25(24)21-36-29)33(41)39-17-15-38(16-18-39)31-8-4-3-7-26(31)22-35-28-13-14-28/h1-12,28-30,35-36H,13-22H2,(H,37,40)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50134486 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r| Show InChI InChI=1S/C32H34ClN7O2/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/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair