Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50301140'   

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 5 (Mus musculus (Mouse))	BDBM50301140 ((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...) Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)| Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.19E+3	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Agonistic activity against mouse MC5R				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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