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SMILES: COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=PIUANHUFEHCJIG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 429629   

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))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30E+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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.30E+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))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	280	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))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	160	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))	BDBM429629 (US10550091, No. LC-38 | US10947203, No. LC-38) Show SMILES COc1ccc(C)cc1-n1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4O3S/c1-13-6-11-17(27-5)16(12-13)24-18(21)19(22-23-24)28(25,26)15-9-7-14(8-10-15)20(2,3)4/h6-12H,21H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30E+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)
					More data for this Ligand-Target Pair