Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50141020'   

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))	BDBM50141020 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C51H68IN13O10S2/c1-26(66)39(42(54)68)63-49(75)41-51(3,4)77-76-25-38(62-43(69)33(53)21-28-11-6-5-7-12-28)47(73)60-36(22-29-16-18-31(52)19-17-29)45(71)61-37(23-30-24-58-34-14-9-8-13-32(30)34)46(72)59-35(15-10-20-57-50(55)56)44(70)64-40(27(2)67)48(74)65-41/h5-9,11-14,16-19,24,26-27,33,35-41,58,66-67H,10,15,20-23,25,53H2,1-4H3,(H2,54,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)(H4,55,56,57)/t26-,27-,33-,35+,36+,37+,38+,39+,40-,41+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of 1 nM alpha melanocortin stimulating hormone (MSH) from frog skin				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
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