BDBM50000249 CHEMBL136279

SMILES: Clc1ccc(COCC(N2CCNCC2)c2ccccc2)cc1Cl

InChI Key: InChIKey=CWHYCZQXHMPNPS-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 = 50000249   

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))	BDBM50000249 (CHEMBL136279) Show SMILES Clc1ccc(COCC(N2CCNCC2)c2ccccc2)cc1Cl Show InChI InChI=1S/C19H22Cl2N2O/c20-17-7-6-15(12-18(17)21)13-24-14-19(16-4-2-1-3-5-16)23-10-8-22-9-11-23/h1-7,12,19,22H,8-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair