Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50189023'   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50189023 ((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human MC1R				Bioorg Med Chem Lett 16: 4668-73 (2006) Article DOI: 10.1016/j.bmcl.2006.05.087 BindingDB Entry DOI: 10.7270/Q2W66KDF
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50189023 ((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC1R				Bioorg Med Chem Lett 16: 4668-73 (2006) Article DOI: 10.1016/j.bmcl.2006.05.087 BindingDB Entry DOI: 10.7270/Q2W66KDF
					More data for this Ligand-Target Pair