Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50141036'   

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))	BDBM50141036 (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](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H67N13O11S2/c1-26(65)39(41(52)67)62-48(74)40-50(2,3)76-75-25-38(61-42(68)32(51)20-27-10-5-4-6-11-27)47(73)58-35(21-28-15-17-30(66)18-16-28)44(70)59-36(22-29-23-56-33-13-8-7-12-31(29)33)45(71)57-34(14-9-19-55-49(53)54)43(69)60-37(24-64)46(72)63-40/h4-8,10-13,15-18,23,26,32,34-40,56,64-66H,9,14,19-22,24-25,51H2,1-3H3,(H2,52,67)(H,57,71)(H,58,73)(H,59,70)(H,60,69)(H,61,68)(H,62,74)(H,63,72)(H4,53,54,55)/t26-,32-,34+,35+,36+,37-,38+,39+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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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