BDBM50099514 3-[5-Acetyl-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-benzyl-4-hydroxy-piperidin-1-yl)-propan-1-one::CHEMBL21385

SMILES: CC(=O)c1ccc2n(C)c(c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c2c1)-c1ccc(Cl)cc1

InChI Key: InChIKey=SYRAXCBZMYANMU-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 = 50099514   

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))	BDBM50099514 (3-[5-Acetyl-2-(4-chloro-phenyl)-1-methyl-1H-indol-...) Show SMILES CC(=O)c1ccc2n(C)c(c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C32H33ClN2O3/c1-22(36)25-10-14-29-28(20-25)27(31(34(29)2)24-8-11-26(33)12-9-24)13-15-30(37)35-18-16-32(38,17-19-35)21-23-6-4-3-5-7-23/h3-12,14,20,38H,13,15-19,21H2,1-2H3	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	0.190	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