BDBM50099556 3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL21909

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

InChI Key: InChIKey=GGQKWWASEAXXOF-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 = 50099556   

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))	BDBM50099556 (3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CCO)c2ccc(Cl)cc12 Show InChI InChI=1S/C30H31Cl2N3O3/c1-38-28-5-3-2-4-27(28)33-14-16-34(17-15-33)29(37)13-11-24-25-20-23(32)10-12-26(25)35(18-19-36)30(24)21-6-8-22(31)9-7-21/h2-10,12,20,36H,11,13-19H2,1H3	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	0.970	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