BDBM50188324 CHEMBL375132::benzyl 4-((1S,4R,5S)-4-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)ureido)bicyclo[3.1.0]hexan-1-yl)phenylcarbamate

SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(NC(=O)OCc3ccccc3)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1

InChI Key: InChIKey=NMPFBNIJCAMRID-VOKAMYBESA-N

Data: 1 KI

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 = 50188324   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50188324 (CHEMBL375132 | benzyl 4-((1S,4R,5S)-4-(3-(3-chloro...) Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(NC(=O)OCc3ccccc3)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C35H41ClFN5O3/c1-40-18-20-41(21-19-40)16-5-17-42(33(43)38-28-12-13-31(37)30(36)22-28)32-14-15-35(23-29(32)35)26-8-10-27(11-9-26)39-34(44)45-24-25-6-3-2-4-7-25/h2-4,6-13,22,29,32H,5,14-21,23-24H2,1H3,(H,38,43)(H,39,44)/t29-,32-,35-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 16: 4262-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.069 BindingDB Entry DOI: 10.7270/Q2BC3Z5G
					More data for this Ligand-Target Pair