null

SMILES: COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=ITWHJOFOMZLYFK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 429667   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	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))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80E+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))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80E+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)
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429667 (US10550091, No. LC-76 | US10947203, No. LC-76) Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H28N2O4S/c1-15-22(30(26,27)18-11-8-16(9-12-18)23(2,3)4)25(5)21(24-15)19-14-17(28-6)10-13-20(19)29-7/h8-14H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	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)
					More data for this Ligand-Target Pair