BDBM50099543 3-[2-(4-Methoxy-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL20572

SMILES: COc1ccc(cc1)-c1[nH]c2ccc(C)cc2c1CCC(=O)N1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=UCNRXWCDRMHTEI-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 = 50099543   

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))	BDBM50099543 (3-[2-(4-Methoxy-phenyl)-5-methyl-1H-indol-3-yl]-1-...) Show SMILES COc1ccc(cc1)-c1[nH]c2ccc(C)cc2c1CCC(=O)N1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C30H33N3O3/c1-21-8-14-26-25(20-21)24(30(31-26)22-9-11-23(35-2)12-10-22)13-15-29(34)33-18-16-32(17-19-33)27-6-4-5-7-28(27)36-3/h4-12,14,20,31H,13,15-19H2,1-3H3	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	1.5	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