Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM429616'   

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))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children''s Research Hospital US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10550091 (2020) BindingDB Entry DOI: 10.7270/Q2NK3HFJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in pres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by lucifer...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02201 BindingDB Entry DOI: 10.7270/Q2KS6WBB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
St. Jude Children''s Research Hospital US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10550091 (2020) BindingDB Entry DOI: 10.7270/Q2NK3HFJ
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429616 (US10550091, No. LC-25 | US10947203, No. LC-25) Show SMILES COC(=O)c1cc(OC)c(cc1C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H27N3O5S/c1-14-12-19(20(30-6)13-18(14)22(27)31-7)26-15(2)21(24-25-26)32(28,29)17-10-8-16(9-11-17)23(3,4)5/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
ST. JUDE CHILDREN''S RSEARCH HOSPITAL US Patent					Assay Description The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luci...				US Patent US10947203 (2021) BindingDB Entry DOI: 10.7270/Q2HM5CKJ
					More data for this Ligand-Target Pair