BDBM50099546 (5-Chloro-2-(4-chloro-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-3-oxo-propyl}-indol-1-yl)-acetic acid methyl ester::CHEMBL423836

SMILES: COC(=O)Cn1c(c(CCC(=O)N2CCN(CC2)c2ccccc2OC)c2cc(Cl)ccc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=GNOYESNOUWJQOE-UHFFFAOYSA-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 = 50099546   

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))	BDBM50099546 ((5-Chloro-2-(4-chloro-phenyl)-3-{3-[4-(2-methoxy-p...) Show SMILES COC(=O)Cn1c(c(CCC(=O)N2CCN(CC2)c2ccccc2OC)c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H31Cl2N3O4/c1-39-28-6-4-3-5-27(28)34-15-17-35(18-16-34)29(37)14-12-24-25-19-23(33)11-13-26(25)36(20-30(38)40-2)31(24)21-7-9-22(32)10-8-21/h3-11,13,19H,12,14-18,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells(*).				Bioorg Med Chem Lett 11: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair