null

SMILES: COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=MAGWKSLCLGTVDQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 429612   

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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	990	n/a	n/a	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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	700	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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	990	n/a	n/a	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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.22E+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))	BDBM429612 (US10550091, No. LC-21 | US10947203, No. LC-21) Show SMILES COc1cc(C)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H27N3O3S/c1-14-12-19(20(28-7)13-15(14)2)25-16(3)21(23-24-25)29(26,27)18-10-8-17(9-11-18)22(4,5)6/h8-13H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	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