Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50141037'   

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))	BDBM50141037 (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](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H72N14O9S2/c1-32(73)47(49(60)74)71-56(81)48-58(2,3)83-82-31-46(70-50(75)39(59)25-33-15-6-4-7-16-33)55(80)67-43(26-34-17-8-5-9-18-34)52(77)69-44(27-35-29-64-40-21-12-10-19-37(35)40)53(78)66-42(23-14-24-63-57(61)62)51(76)68-45(54(79)72-48)28-36-30-65-41-22-13-11-20-38(36)41/h4-13,15-22,29-30,32,39,42-48,64-65,73H,14,23-28,31,59H2,1-3H3,(H2,60,74)(H,66,78)(H,67,80)(H,68,76)(H,69,77)(H,70,75)(H,71,81)(H,72,79)(H4,61,62,63)/t32-,39-,42+,43+,44+,45-,46+,47+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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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