Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174863'   

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))	BDBM50174863 (CHEMBL411817 | X3-Apc-DPhe-Arg-Trp-Z10-NH2) Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(N)=O |wU:7.7,25.29,11.19,22.36,wD:47.50,22.22,(13.13,-24.28,;11.79,-25.06,;10.45,-24.28,;11.79,-26.6,;10.45,-27.37,;10.45,-28.92,;9.11,-29.69,;9.11,-31.24,;7.77,-32.01,;6.43,-31.24,;6.43,-29.69,;5.1,-32.01,;5.1,-33.55,;6.43,-34.33,;6.42,-35.88,;7.76,-36.65,;9.1,-35.88,;9.1,-34.32,;7.76,-33.55,;3.76,-31.24,;2.42,-32.01,;2.42,-33.55,;1.09,-31.24,;2.42,-30.47,;2.42,-28.94,;1.1,-28.17,;-.24,-28.93,;-.25,-30.47,;1.1,-26.63,;2.44,-25.87,;2.45,-24.33,;1.12,-23.56,;-.22,-24.33,;-.22,-25.86,;-.26,-32.01,;-1.6,-31.24,;-1.6,-29.69,;-2.93,-32.01,;-4.26,-31.24,;-4.26,-29.71,;-5.59,-28.94,;-6.92,-29.71,;-6.91,-31.26,;-5.58,-32.02,;10.45,-32.01,;10.45,-33.55,;11.79,-31.24,;13.13,-32.01,;13.13,-33.55,;14.47,-34.33,;15.81,-33.55,;16.92,-34.85,;16.15,-36.19,;16.62,-37.65,;15.59,-38.8,;14.08,-38.48,;13.6,-37.01,;14.64,-35.86,;14.47,-31.24,;14.47,-29.69,;15.81,-32.01,;17.14,-31.24,;18.47,-32,;18.47,-33.54,;19.8,-34.31,;21.13,-33.53,;21.12,-31.99,;19.79,-31.23,;22.47,-34.3,;23.79,-33.52,;22.47,-35.84,)| Show InChI InChI=1S/C55H62N10O6/c56-49(67)41-24-22-38(23-25-41)34-61-50(68)47(33-42-35-60-44-20-11-10-19-43(42)44)63-51(69)45(21-12-30-59-54(57)58)62-52(70)46(31-36-13-4-1-5-14-36)64-53(71)55(65-48(66)32-37-15-6-2-7-16-37)28-26-40(27-29-55)39-17-8-3-9-18-39/h1-11,13-20,22-25,35,40,45-47,60H,12,21,26-34H2,(H2,56,67)(H,61,68)(H,62,70)(H,63,69)(H,64,71)(H,65,66)(H4,57,58,59)/t40-,45-,46+,47-,55+/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	1	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
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