Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50106775'   

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))	BDBM50106775 (1-(4-Acetyl-4-phenyl-piperidin-1-yl)-3-[5-chloro-2...) Show SMILES CC(=O)C1(CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12)c1ccccc1 Show InChI InChI=1S/C31H30Cl2N2O2/c1-21(36)31(23-6-4-3-5-7-23)16-18-35(19-17-31)29(37)15-13-26-27-20-25(33)12-14-28(27)34(2)30(26)22-8-10-24(32)11-9-22/h3-12,14,20H,13,15-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled substance P from human cloned Tachykinin receptor 1 in CHO cells.				Bioorg Med Chem Lett 11: 3031-4 (2001) BindingDB Entry DOI: 10.7270/Q2C24VQ0
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