BDBM429611 US10550091, No. LC-20::US10947203, No. LC-20

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

InChI Key: InChIKey=SDMHZCAFBFMNOP-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 429611   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM429611 (US10550091, No. LC-20 | US10947203, No. LC-20) Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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
Pregnane X receptor (Homo sapiens (Human))	BDBM429611 (US10550091, No. LC-20 | US10947203, No. LC-20) Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	910	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
Pregnane X receptor (Homo sapiens (Human))	BDBM429611 (US10550091, No. LC-20 | US10947203, No. LC-20) Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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
Pregnane X receptor (Homo sapiens (Human))	BDBM429611 (US10550091, No. LC-20 | US10947203, No. LC-20) Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	910	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