BDBM50190819 (+/-)-cis-benzyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate::CHEMBL212697

SMILES: FC(F)(F)c1cc(CO[C@H]2CC[C@H](NC(=O)OCc3ccccc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=MLFSLAIOJHSNOR-CCDWMCETSA-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 = 50190819   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50190819 ((+/-)-cis-benzyl-3-(3,5-bis(trifluoromethyl)benzyl...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@H](NC(=O)OCc3ccccc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6NO3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-37-24-12-11-23(25(24)20-9-5-2-6-10-20)35-26(36)38-16-18-7-3-1-4-8-18/h1-10,13-15,23-25H,11-12,16-17H2,(H,35,36)/t23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4497-503 (2006) Article DOI: 10.1016/j.bmcl.2006.06.035 BindingDB Entry DOI: 10.7270/Q21J99DZ
					More data for this Ligand-Target Pair