Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50099544'   

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))	BDBM50099544 (3-[1,5-Dimethyl-2-(4-trifluoromethyl-phenyl)-1H-in...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(cc2)C(F)(F)F)n(C)c2ccc(C)cc12 Show InChI InChI=1S/C31H32F3N3O2/c1-21-8-14-26-25(20-21)24(30(35(26)2)22-9-11-23(12-10-22)31(32,33)34)13-15-29(38)37-18-16-36(17-19-37)27-6-4-5-7-28(27)39-3/h4-12,14,20H,13,15-19H2,1-3H3	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells(*).				Bioorg Med Chem Lett 11: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
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