Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50301145'   

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)	BDBM50301145 ((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...) Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O |r,w:34.36,wU:22.30,7.7,wD:11.19,(10.55,-27.38,;9.21,-26.62,;9.22,-25.08,;7.87,-27.38,;6.53,-26.63,;5.2,-27.4,;3.87,-26.63,;3.87,-25.09,;2.54,-24.32,;1.2,-25.09,;1.2,-26.63,;-.13,-24.32,;-.13,-22.78,;-1.47,-22.01,;-1.47,-20.47,;-2.79,-19.7,;-4.13,-20.47,;-4.13,-22.01,;-2.79,-22.78,;-1.46,-25.09,;-1.45,-26.63,;-.11,-27.39,;-2.78,-27.39,;-4.12,-26.63,;-5.45,-27.39,;-6.85,-26.76,;-7.88,-27.92,;-7.12,-29.25,;-5.61,-28.92,;-2.8,-28.93,;-1.45,-29.69,;-.12,-28.92,;-1.45,-31.23,;-.13,-31.99,;-2.79,-32,;-2.79,-33.54,;-4.13,-34.3,;-4.13,-35.84,;-2.8,-36.61,;-1.46,-35.83,;-1.46,-34.3,;5.2,-24.32,;6.53,-25.09,;5.2,-22.78,)| Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Agonistic activity against mouse MC4R				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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