Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50000042'   

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))	BDBM50000042 ((2-Benzhydryl-piperidin-3-yl)-(2-methoxy-benzyl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H30N2O/c1-29-24-17-9-8-15-22(24)19-28-23-16-10-18-27-26(23)25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25-28H,10,16,18-19H2,1H3/t23-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]-BH-SP of the compound.				J Med Chem 35: 4911-3 (1993) BindingDB Entry DOI: 10.7270/Q2GF0SG7
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