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 = 'BDBM50268398'   

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))	BDBM50268398 (CHEMBL4061940) Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)(C)C)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42| Show InChI InChI=1S/C37H45FN4O4S/c1-36(2,3)47(45,46)39-34(43)23-10-14-28-31(16-23)41-21-37(35(44)42-25-12-13-26(42)20-40(4)19-25)18-30(37)29-17-24(38)11-15-27(29)33(41)32(28)22-8-6-5-7-9-22/h10-11,14-17,22,25-26,30H,5-9,12-13,18-21H2,1-4H3,(H,39,43)/t25?,26?,30-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a
Department of Discovery Chemistry and Molecular Technologies, Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492, United States. Electronic address: zhizhenZheng Curated by ChEMBL					Assay Description Activation of PXR in human hepatocytes assessed as induction of CYP450 expression				Bioorg Med Chem Lett 27: 3294-3300 (2017) Article DOI: 10.1016/j.bmcl.2017.06.024 BindingDB Entry DOI: 10.7270/Q20004KW
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