Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174886'   

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 4 (Homo sapiens (Human))	BDBM50174886 (CHEMBL381007 | X3-5-BrAtc-DPhe-Arg-Trp-Z9-NH2) Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2c(Br)cccc2C1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(N)=O |wU:11.19,7.7,wD:46.49,(16.07,-25.15,;14.73,-25.92,;13.39,-25.15,;14.73,-27.47,;13.39,-28.24,;13.39,-29.78,;12.05,-30.56,;12.05,-32.1,;10.71,-32.87,;9.37,-32.1,;9.37,-30.56,;8.04,-32.87,;8.04,-34.42,;9.37,-35.19,;9.36,-36.74,;10.7,-37.51,;12.04,-36.74,;12.04,-35.19,;10.7,-34.42,;6.7,-32.1,;5.36,-32.87,;5.36,-34.42,;4.03,-32.1,;5.36,-31.34,;5.37,-29.81,;4.03,-29.03,;4.04,-27.5,;5.37,-26.74,;2.71,-26.73,;1.38,-27.51,;1.38,-29.03,;2.7,-29.8,;2.7,-31.34,;2.68,-32.87,;1.34,-32.1,;1.34,-30.56,;.01,-32.87,;-1.32,-32.11,;-1.31,-30.57,;-2.64,-29.8,;-3.97,-30.57,;-3.97,-32.12,;-2.64,-32.88,;13.39,-32.87,;13.39,-34.42,;14.73,-32.1,;16.07,-32.87,;16.07,-34.42,;17.41,-35.19,;18.75,-34.41,;19.86,-35.71,;19.09,-37.05,;19.56,-38.51,;18.53,-39.66,;17.01,-39.34,;16.54,-37.87,;17.58,-36.72,;17.41,-32.1,;17.41,-30.56,;18.75,-32.87,;20.08,-32.09,;21.1,-33.24,;22.61,-32.91,;23.07,-31.44,;22.03,-30.3,;20.53,-30.64,;19.49,-29.51,;19.95,-28.04,;17.99,-29.84,)| Show InChI InChI=1S/C52H55BrN10O6/c53-39-20-11-17-34-30-52(25-24-36(34)39,63-45(64)28-33-15-5-2-6-16-33)50(69)62-43(27-32-13-3-1-4-14-32)48(67)60-42(23-12-26-57-51(55)56)47(66)61-44(29-35-31-58-40-21-9-7-18-37(35)40)49(68)59-41-22-10-8-19-38(41)46(54)65/h1-11,13-22,31,42-44,58H,12,23-30H2,(H2,54,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H,63,64)(H4,55,56,57)/t42-,43+,44-,52?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation				Bioorg Med Chem Lett 15: 5504-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.083 BindingDB Entry DOI: 10.7270/Q2MC8ZK7
					More data for this Ligand-Target Pair