Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50258953'   

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 (Mus musculus)	BDBM50258953 (CHEMBL4086679) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C52H69N11O8/c1-3-4-23-37-45(65)56-33(2)44(64)61-41(32-36-21-12-7-13-22-36)50(70)63-29-16-26-43(63)51(71)62-28-15-25-42(62)49(69)58-38(24-14-27-55-52(53)54)46(66)59-40(31-35-19-10-6-11-20-35)48(68)60-39(47(67)57-37)30-34-17-8-5-9-18-34/h5-13,17-22,33,37-43H,3-4,14-16,23-32H2,1-2H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory concentration towards acetylcholinesterase in electric eel				J Med Chem 60: 8103-8114 (2017) Article DOI: 10.1021/acs.jmedchem.7b00856 BindingDB Entry DOI: 10.7270/Q2DN47H1
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