BDBM50099529 3-[4,6-Dichloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one::CHEMBL281149

SMILES: COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)-c1ccc(Cl)cc1

InChI Key: InChIKey=NZYZDPKNNQJZQG-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 = 50099529   

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))	BDBM50099529 (3-[4,6-Dichloro-2-(4-chloro-phenyl)-1H-indol-3-yl]...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H26Cl3N3O2/c1-36-25-5-3-2-4-24(25)33-12-14-34(15-13-33)26(35)11-10-21-27-22(31)16-20(30)17-23(27)32-28(21)18-6-8-19(29)9-7-18/h2-9,16-17,32H,10-15H2,1H3	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	570	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