Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50301130'   

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 3 (Mus musculus)	BDBM50301130 ((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...) Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)| Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Agonistic activity against mouse MC3R				Bioorg Med Chem Lett 19: 5176-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.025 BindingDB Entry DOI: 10.7270/Q2WD41JX
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