Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50187698'   

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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50187698 (CHEMBL3827928) Show SMILES O[C@H](c1ccccn1)C1(CC(F)(F)C1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H14F5NO2/c18-16(19)9-15(10-16,14(24)13-3-1-2-8-23-13)11-4-6-12(7-5-11)25-17(20,21)22/h1-8,14,24H,9-10H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Activation of human PXR				J Med Chem 59: 4926-47 (2016) Article DOI: 10.1021/acs.jmedchem.6b00287 BindingDB Entry DOI: 10.7270/Q2765H90
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