Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174867'   

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))	BDBM50174867 (CHEMBL372200 | X3-Apc-DPhe-Arg-Trp-Z2-NH2) Show SMILES NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1 |wU:21.30,46.52,32.42,43.59,wD:43.45,7.19,(20.08,-41.55,;18.75,-42.32,;18.76,-43.85,;17.42,-41.56,;16.09,-42.33,;14.75,-41.56,;14.75,-40.01,;13.42,-42.33,;13.42,-43.88,;14.75,-44.65,;16.1,-43.86,;17.2,-45.16,;16.44,-46.5,;16.91,-47.97,;15.88,-49.11,;14.36,-48.79,;13.89,-47.32,;14.92,-46.17,;12.08,-41.56,;10.75,-42.33,;10.75,-43.88,;9.41,-41.56,;9.41,-40.01,;10.75,-39.24,;10.75,-37.7,;12.08,-36.93,;12.08,-35.39,;13.42,-34.61,;10.75,-34.61,;8.07,-42.33,;6.73,-41.56,;6.73,-40.01,;5.4,-42.33,;5.4,-43.88,;6.73,-44.65,;6.72,-46.2,;8.05,-46.96,;9.39,-46.19,;9.39,-44.65,;8.06,-43.87,;4.06,-41.56,;2.72,-42.33,;2.72,-43.88,;1.39,-41.56,;2.72,-40.8,;2.73,-39.27,;1.4,-38.49,;.07,-39.25,;.06,-40.8,;1.41,-36.96,;2.74,-36.2,;2.75,-34.67,;1.42,-33.89,;.08,-34.66,;.08,-36.19,;.05,-42.33,;-1.29,-41.56,;-1.29,-40.01,;-2.62,-42.33,;-3.96,-41.56,;-3.95,-40.03,;-5.28,-39.26,;-6.61,-40.03,;-6.6,-41.58,;-5.27,-42.34,)| Show InChI InChI=1S/C49H58N10O6/c50-42(60)31-55-44(62)41(29-36-30-54-38-20-11-10-19-37(36)38)57-45(63)39(21-12-26-53-48(51)52)56-46(64)40(27-32-13-4-1-5-14-32)58-47(65)49(59-43(61)28-33-15-6-2-7-16-33)24-22-35(23-25-49)34-17-8-3-9-18-34/h1-11,13-20,30,35,39-41,54H,12,21-29,31H2,(H2,50,60)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,59,61)(H4,51,52,53)/t35-,39-,40+,41-,49+/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	2	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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