Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50190828'   

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))	BDBM50190828 ((+/-)-trans-benzyl-3-(3,5-bis(trifluoromethyl)benz...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6NO3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-37-24-12-11-23(25(24)20-9-5-2-6-10-20)35-26(36)38-16-18-7-3-1-4-8-18/h1-10,13-15,23-25H,11-12,16-17H2,(H,35,36)/t23-,24+,25+/m1/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4497-503 (2006) Article DOI: 10.1016/j.bmcl.2006.06.035 BindingDB Entry DOI: 10.7270/Q21J99DZ
					More data for this Ligand-Target Pair