BDBM50099534 3-[1-Benzyl-5-chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL21787

SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccc(Cl)cc12

InChI Key: InChIKey=DEBQWXDHKUFHDT-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 = 50099534   

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))	BDBM50099534 (3-[1-Benzyl-5-chloro-2-(4-chloro-phenyl)-1H-indol-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C35H33Cl2N3O2/c1-42-33-10-6-5-9-32(33)38-19-21-39(22-20-38)34(41)18-16-29-30-23-28(37)15-17-31(30)40(24-25-7-3-2-4-8-25)35(29)26-11-13-27(36)14-12-26/h2-15,17,23H,16,18-22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	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