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BDBM429605 US10550091, No. LC-14::US10947203, No. LC-14

SMILES: COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=KUWFOILULGFGAF-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 = 429605   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pregnane X receptor


(Homo sapiens (Human))
BDBM429605
PNG
(US10550091, No. LC-14 | US10947203, No. LC-14)
Show SMILES COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/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))
BDBM429605
PNG
(US10550091, No. LC-14 | US10947203, No. LC-14)
Show SMILES COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.20E+3n/an/an/an/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))
BDBM429605
PNG
(US10550091, No. LC-14 | US10947203, No. LC-14)
Show SMILES COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/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))
BDBM429605
PNG
(US10550091, No. LC-14 | US10947203, No. LC-14)
Show SMILES COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.20E+3n/an/an/an/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