BDBM50129524 CHEMBL74127::N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-azepan-1-yl]-butyl}-N-methyl-benzamide

SMILES: CN(CC(CCN1CCCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

InChI Key: InChIKey=BCMOURGLNMDTBL-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129524   

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))	BDBM50129524 (CHEMBL74127 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-o...) Show SMILES CN(CC(CCN1CCCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H34Cl2N4O2/c1-35(30(38)22-8-3-2-4-9-22)21-24(23-13-14-26(32)27(33)20-23)15-18-36-17-7-10-25(16-19-36)37-29-12-6-5-11-28(29)34-31(37)39/h2-6,8-9,11-14,20,24-25H,7,10,15-19,21H2,1H3,(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand				Bioorg Med Chem Lett 13: 2211-5 (2003) BindingDB Entry DOI: 10.7270/Q2D799TN
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