Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50428768'   

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))	BDBM50428768 (CHEMBL2333629) Show SMILES CN1CCC(COCc2cc(cc(n2)N2CCC(CC2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F4N4O/c1-33-12-8-25(9-13-33,20-2-4-22(27)5-3-20)18-35-17-23-14-21(26(28,29)30)15-24(32-23)34-10-6-19(16-31)7-11-34/h2-5,14-15,19H,6-13,17-18H2,1H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I] Substance P from human NK1 receptor expressed in human U373 cell membranes after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 407-11 (2012) Article DOI: 10.1016/j.bmcl.2012.11.094 BindingDB Entry DOI: 10.7270/Q2S46TBT
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