Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174870'   

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))	BDBM50174870 (CHEMBL382930 | X1-5-BrAtc-DPhe-Arg-Trp-Z9-NH2) Show SMILES CCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(N)=O |wU:31.33,20.21,wD:42.44,(-5.96,-38.74,;-4.63,-37.97,;-3.3,-38.73,;-1.97,-37.97,;-1.97,-36.42,;-.63,-38.74,;.72,-37.97,;2.05,-37.2,;2.05,-35.68,;.72,-34.9,;.73,-33.37,;2.06,-32.61,;-.59,-32.6,;-1.93,-33.37,;-1.93,-34.9,;-.61,-35.66,;-.61,-37.2,;2.05,-38.74,;2.05,-40.28,;3.39,-37.97,;4.73,-38.74,;4.73,-40.28,;6.06,-41.06,;6.05,-42.6,;7.39,-43.37,;8.73,-42.6,;8.72,-41.05,;7.38,-40.28,;6.06,-37.97,;6.06,-36.42,;7.4,-38.74,;8.74,-37.97,;8.74,-36.42,;10.07,-35.65,;10.07,-34.1,;11.42,-33.34,;11.42,-31.79,;12.75,-31.01,;10.07,-31.01,;10.07,-38.74,;10.07,-40.28,;11.42,-37.97,;12.75,-38.74,;12.75,-40.28,;14.09,-41.06,;15.43,-40.28,;16.54,-41.57,;15.77,-42.91,;16.24,-44.37,;15.22,-45.52,;13.7,-45.21,;13.23,-43.73,;14.26,-42.59,;14.09,-37.97,;14.09,-36.42,;15.43,-38.74,;16.75,-37.96,;17.83,-39.06,;19.32,-38.66,;19.72,-37.18,;18.62,-36.08,;17.15,-36.49,;16.06,-35.4,;16.46,-33.92,;14.58,-35.8,)| Show InChI InChI=1S/C48H55BrN10O6/c1-2-12-41(60)59-48(23-22-32-30(27-48)15-10-18-35(32)49)46(65)58-39(25-29-13-4-3-5-14-29)44(63)56-38(21-11-24-53-47(51)52)43(62)57-40(26-31-28-54-36-19-8-6-16-33(31)36)45(64)55-37-20-9-7-17-34(37)42(50)61/h3-10,13-20,28,38-40,54H,2,11-12,21-27H2,1H3,(H2,50,61)(H,55,64)(H,56,63)(H,57,62)(H,58,65)(H,59,60)(H4,51,52,53)/t38-,39+,40-,48?/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	15	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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