BDBM50071120 CHEMBL56788::N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide

SMILES: CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=YYHURHAIRKRIMY-UHFFFAOYSA-N

Data: 1 KI

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 = 50071120   

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 2 receptor (Homo sapiens (Human))	BDBM50071120 (CHEMBL56788 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...) Show SMILES CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C27H36Cl2N2O2/c1-3-7-26(32)20-12-15-31(16-13-20)17-14-23(22-10-11-24(28)25(29)18-22)19-30(2)27(33)21-8-5-4-6-9-21/h4-6,8-11,18,20,23,26,32H,3,7,12-17,19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells				Bioorg Med Chem Lett 8: 1935-40 (1999) BindingDB Entry DOI: 10.7270/Q2J38RPQ
					More data for this Ligand-Target Pair