BDBM50220708 (R)-N-((S)-3-(4-chlorophenyl)-1-(4-(cyanomethyl)-4-cyclopropylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL398717

SMILES: Clc1ccc(C[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CC#N)(CC2)C2CC2)cc1

InChI Key: InChIKey=YZPQNVSDLAVTJH-FTJBHMTQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220708   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50220708 ((R)-N-((S)-3-(4-chlorophenyl)-1-(4-(cyanomethyl)-4...) Show SMILES Clc1ccc(C[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CC#N)(CC2)C2CC2)cc1 Show InChI InChI=1S/C29H33ClN4O2/c30-24-9-5-20(6-10-24)17-26(33-27(35)25-18-21-3-1-2-4-22(21)19-32-25)28(36)34-15-12-29(11-14-31,13-16-34)23-7-8-23/h1-6,9-10,23,25-26,32H,7-8,11-13,15-19H2,(H,33,35)/t25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Binding affinity to human MC4R				Bioorg Med Chem Lett 17: 5720-3 (2007) Article DOI: 10.1016/j.bmcl.2006.11.084 BindingDB Entry DOI: 10.7270/Q2708141
					More data for this Ligand-Target Pair