Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM429620'   

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))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	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))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	530	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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429620 (US10550091, No. LC-29 | US10947203, No. LC-29) Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	530	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