Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50425523'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50425523 (CHEMBL2313629) Show SMILES CCC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at NK1 receptor (unknown origin)				J Med Chem 56: 1197-210 (2013) Article DOI: 10.1021/jm301653f BindingDB Entry DOI: 10.7270/Q2HT2QM2
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