Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50190816'   

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))	BDBM50190816 ((+/-)-trans-5-(((2-(3-(3,5-bis(trifluoromethyl)ben...) Show SMILES CN(CC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1 Show InChI InChI=1S/C26H28F6N4O2/c1-36(14-22-33-24(37)35-34-22)10-9-18-7-8-21(23(18)17-5-3-2-4-6-17)38-15-16-11-19(25(27,28)29)13-20(12-16)26(30,31)32/h2-6,11-13,18,21,23H,7-10,14-15H2,1H3,(H2,33,34,35,37)/t18-,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	4.90	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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