BDBM50099540 1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-(5-methyl-2-phenyl-1H-indol-3-yl)-propan-1-one::CHEMBL20837

SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1

InChI Key: InChIKey=RRQHBXFZUXIDJS-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 = 50099540   

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))	BDBM50099540 (1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-(5-methy...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1 Show InChI InChI=1S/C29H31N3O2/c1-21-12-14-25-24(20-21)23(29(30-25)22-8-4-3-5-9-22)13-15-28(33)32-18-16-31(17-19-32)26-10-6-7-11-27(26)34-2/h3-12,14,20,30H,13,15-19H2,1-2H3	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	6.10	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