Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50031487'   

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)	BDBM50031487 (CHEMBL3358543) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| Show InChI InChI=1S/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)64-43-25-34-28-68(67-66-34)21-11-10-18-37(44(52)70)60-48(74)41(23-32-26-57-36-17-9-8-15-35(32)36)63-46(72)39(19-12-20-56-51(53)54)61-47(73)40(22-31-13-6-5-7-14-31)62-49(75)42(65-50(43)76)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,74)(H,61,73)(H,62,75)(H,63,72)(H,64,71)(H,65,76)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
University of Cergy-Pontoise Curated by ChEMBL					Assay Description Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay				J Med Chem 57: 9424-34 (2014) Article DOI: 10.1021/jm501027w BindingDB Entry DOI: 10.7270/Q21G0NVT
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