BDBM50188317 CHEMBL212922::methyl 4-((1R,4S,5R)-4-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)ureido)bicyclo[3.1.0]hexan-1-yl)benzoate

SMILES: COC(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=VTHCMTQNHHNLEM-PIRIWWGTSA-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 = 50188317   

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 1 (Homo sapiens (Human))	BDBM50188317 (CHEMBL212922 | methyl 4-((1R,4S,5R)-4-(3-(4-fluoro...) Show SMILES COC(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F4N4O3/c1-36-14-16-37(17-15-36)12-3-13-38(28(40)35-22-8-9-25(31)23(18-22)30(32,33)34)26-10-11-29(19-24(26)29)21-6-4-20(5-7-21)27(39)41-2/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,35,40)/t24-,26-,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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