Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50081413'   

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))	BDBM50081413 ((R)-7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-8...) Show SMILES Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCCn2c(=O)c2ncccc12 Show InChI InChI=1S/C29H23F6N3O2/c1-17-6-8-19(9-7-17)23-22-5-4-10-36-24(22)26(39)38-12-3-2-11-37(27(40)25(23)38)16-18-13-20(28(30,31)32)15-21(14-18)29(33,34)35/h4-10,13-15H,2-3,11-12,16H2,1H3	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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
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