Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50014450   

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 (Mus musculus)	BDBM50142891 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142894 (2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...) Show SMILES COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142895 (2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1 |t:20| Show InChI InChI=1S/C18H18BrFN2O/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,5,7,9-10H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142897 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C19H21BrN2O/c1-23-18-10-9-16(20)13-15(18)8-7-14-5-2-3-6-17(14)19-21-11-4-12-22-19/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142893 (2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-ph...) Show SMILES Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1 |t:13| Show InChI InChI=1S/C15H14Cl2N2S2/c16-13-8-10(14(17)21-13)9-20-12-5-2-1-4-11(12)15-18-6-3-7-19-15/h1-2,4-5,8H,3,6-7,9H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.20E+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 Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142896 (2-[2-(2-Chloro-6-fluoro-benzylsulfanyl)-phenyl]-1,...) Show SMILES Fc1cccc(Cl)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16ClFN2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+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 Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142892 (2-[2-(2,6-Difluoro-benzylsulfanyl)-phenyl]-1,4,5,6...) Show SMILES Fc1cccc(F)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16F2N2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair