Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM429675'   

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))	BDBM429675 (US10550091, No. LC-84 | US10947203, No. LC-84) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM429675 (US10550091, No. LC-84 | US10947203, No. LC-84) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM429675 (US10550091, No. LC-84 | US10947203, No. LC-84) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30E+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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429675 (US10550091, No. LC-84 | US10947203, No. LC-84) Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30E+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