Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50014908   

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))	BDBM50148972 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)c(C)n1C Show InChI InChI=1S/C21H23BrN2O/c1-14-15(2)24(3)21(23-14)19-8-6-5-7-16(19)9-10-17-13-18(22)11-12-20(17)25-4/h5-8,11-13H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148974 (3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCn12 Show InChI InChI=1S/C21H20BrClN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148977 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1ncc(C)n1C Show InChI InChI=1S/C20H21BrN2O/c1-14-13-22-20(23(14)2)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148976 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)cn1C Show InChI InChI=1S/C20H21BrN2O/c1-14-13-23(2)20(22-14)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148967 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C Show InChI InChI=1S/C19H18BrClN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9-12H,6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148969 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC Show InChI InChI=1S/C20H20BrClN2O/c1-3-24-12-11-23-20(24)17-5-4-6-18(22)16(17)9-7-14-13-15(21)8-10-19(14)25-2/h4-6,8,10-13H,3,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148978 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES CCc1cnc(-c2ccccc2CCc2cc(Br)ccc2OC)n1C Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148973 (3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCn12 Show InChI InChI=1S/C21H20BrFN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148983 (3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCCn12 Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148981 (3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCCn12 Show InChI InChI=1S/C22H22BrFN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148971 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C Show InChI InChI=1S/C21H22BrClN2O/c1-14(2)25-12-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-13-16(22)8-10-20(15)26-3/h4-6,8,10-14H,7,9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148984 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES CCc1cn(C)c(n1)-c1ccccc1CCc1cc(Br)ccc1OC Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-24(2)21(23-18)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148980 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC Show InChI InChI=1S/C21H22BrClN2O/c1-3-12-25-13-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-14-16(22)8-10-20(15)26-2/h4-6,8,10-11,13-14H,3,7,9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148970 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc[nH]1 Show InChI InChI=1S/C18H16BrClN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8-11H,5,7H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148975 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(cn1C)C(C)C Show InChI InChI=1S/C22H25BrN2O/c1-15(2)20-14-25(3)22(24-20)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-21(17)26-4/h5-8,11-15H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148968 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1 Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-10-8-17(23)13-16(21)7-9-18-19(3-2-4-20(18)24)22-25-11-12-26(22)14-15-5-6-15/h2-4,8,10-13,15H,5-7,9,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148979 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...) Show SMILES CCC(C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC Show InChI InChI=1S/C22H24BrClN2O/c1-4-15(2)26-13-12-25-22(26)19-6-5-7-20(24)18(19)10-8-16-14-17(23)9-11-21(16)27-3/h5-7,9,11-15H,4,8,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50148982 (4-Bromo-2-{2-[2-chloro-6-(1-methyl-1H-imidazol-2-y...) Show SMILES Cn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1O Show InChI InChI=1S/C18H16BrClN2O/c1-22-10-9-21-18(22)15-3-2-4-16(20)14(15)7-5-12-11-13(19)6-8-17(12)23/h2-4,6,8-11,23H,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro binding affinity towards melanocortin 4 receptor.				Bioorg Med Chem Lett 14: 3721-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.003 BindingDB Entry DOI: 10.7270/Q2JS9PWV
					More data for this Ligand-Target Pair