Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50141024'   

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))	BDBM50141024 (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](CCCN=C(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 |wU:7.6,36.38,50.54,25.27,wD:3.3,62.74,11.11,72.78,1.1,(15.11,-14.87,;16.5,-14.15,;17.78,-14.99,;16.57,-12.62,;15.27,-11.78,;13.9,-12.48,;13.83,-14.01,;12.62,-11.64,;13.25,-10.25,;13.4,-8.71,;14.95,-8.63,;13.08,-7.2,;14.52,-6.65,;14.91,-5.17,;14.43,-3.7,;15.67,-2.78,;16.92,-3.68,;18.41,-3.36,;19.46,-4.5,;18.99,-5.96,;17.48,-6.29,;16.45,-5.15,;12.32,-5.87,;11.17,-4.84,;12.01,-3.54,;9.76,-4.22,;10.17,-2.73,;11.64,-2.33,;12.04,-.85,;13.54,-.44,;13.94,1.04,;15.41,1.44,;12.85,2.13,;8.24,-4.06,;6.73,-4.37,;6.17,-2.94,;5.4,-5.14,;4.42,-3.94,;4.98,-2.51,;4.14,-1.22,;5.1,-.02,;6.55,-.57,;7.92,.13,;9.21,-.71,;9.13,-2.24,;7.76,-2.95,;6.47,-2.12,;4.36,-6.29,;3.73,-7.69,;2.26,-7.29,;3.58,-9.22,;2.05,-9.31,;1.19,-8.01,;1.89,-6.64,;1.05,-5.35,;-.48,-5.43,;-1.32,-4.15,;-1.18,-6.8,;-.34,-8.1,;3.89,-10.73,;4.66,-12.06,;3.47,-13.03,;5.8,-13.08,;7.22,-13.71,;8.75,-13.87,;10.26,-13.56,;11.59,-12.78,;11.83,-14.32,;13.03,-13.34,;4.96,-14.39,;5.68,-15.76,;7.21,-15.83,;4.84,-17.04,;5.54,-18.41,;3.29,-16.97,;2.59,-15.6,;1.05,-15.52,;.36,-14.13,;1.19,-12.85,;2.73,-12.94,;3.43,-14.31,;17.94,-11.92,;19.23,-12.76,;18.02,-10.38,)| Show InChI InChI=1S/C58H72N14O10S2/c1-31(73)47(49(60)75)71-56(82)48-58(2,3)84-83-30-46(70-50(76)39(59)24-32-12-5-4-6-13-32)55(81)67-43(25-33-19-21-36(74)22-20-33)52(78)69-44(26-34-28-64-40-16-9-7-14-37(34)40)53(79)66-42(18-11-23-63-57(61)62)51(77)68-45(54(80)72-48)27-35-29-65-41-17-10-8-15-38(35)41/h4-10,12-17,19-22,28-29,31,39,42-48,64-65,73-74H,11,18,23-27,30,59H2,1-3H3,(H2,60,75)(H,66,79)(H,67,81)(H,68,77)(H,69,78)(H,70,76)(H,71,82)(H,72,80)(H4,61,62,63)/t31-,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	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
					More data for this Ligand-Target Pair