Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50190842'   

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))	BDBM50190842 (CHEMBL377881 | trans-(S)-5-((3-(3,5-bis(trifluorom...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NC[C@@H]3CCC(=O)N3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)14-35-21-8-7-20(23(21)16-4-2-1-3-5-16)32-13-19-6-9-22(34)33-19/h1-5,10-12,19-21,23,32H,6-9,13-14H2,(H,33,34)/t19-,20+,21-,23-/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	1.5	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
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