BDBM50099520 1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-piperidin-1-yl-1H-indol-3-yl]-propan-1-one::CHEMBL20430

SMILES: Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCCCC1)-c1ccc(Cl)cc1

InChI Key: InChIKey=GZFMTTIEYCQXLS-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 = 50099520   

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))	BDBM50099520 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCCCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H40ClN3O2/c1-37-32-16-14-29(38-20-6-3-7-21-38)24-31(32)30(34(37)27-10-12-28(36)13-11-27)15-17-33(40)39-22-18-35(41,19-23-39)25-26-8-4-2-5-9-26/h2,4-5,8-14,16,24,41H,3,6-7,15,17-23,25H2,1H3	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	3.30	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