BDBM50099523 3-[2-(4-Chloro-phenyl)-5-trifluoromethoxy-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL21062

SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=INYRSRVWJHHQCB-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 = 50099523   

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))	BDBM50099523 (3-[2-(4-Chloro-phenyl)-5-trifluoromethoxy-1H-indol...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClF3N3O3/c1-38-26-5-3-2-4-25(26)35-14-16-36(17-15-35)27(37)13-11-22-23-18-21(39-29(31,32)33)10-12-24(23)34-28(22)19-6-8-20(30)9-7-19/h2-10,12,18,34H,11,13-17H2,1H3	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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre 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: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair