BDBM50106778 3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-hydroxymethyl-4-phenyl-piperidin-1-yl)-propan-1-one::CHEMBL318989

SMILES: Cn1c(c(CCC(=O)N2CCC(CO)(CC2)c2ccccc2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=QJMOSYCFKFRZPQ-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 = 50106778   

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))	BDBM50106778 (3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(CO)(CC2)c2ccccc2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H30Cl2N2O2/c1-33-27-13-11-24(32)19-26(27)25(29(33)21-7-9-23(31)10-8-21)12-14-28(36)34-17-15-30(20-35,16-18-34)22-5-3-2-4-6-22/h2-11,13,19,35H,12,14-18,20H2,1H3	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled substance P from human cloned Tachykinin receptor 1 in CHO cells.				Bioorg Med Chem Lett 11: 3031-4 (2001) BindingDB Entry DOI: 10.7270/Q2C24VQ0
					More data for this Ligand-Target Pair