Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50432299'   

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))	BDBM50432299 (CHEMBL2347854) Show SMILES CN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
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