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SMILES: COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=OJRNEIVXJKJKOX-UHFFFAOYSA-N

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 6 hits for monomerid = 429666   
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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 920n/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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 500n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 920n/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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM429666
PNG
(US10550091, No. LC-75 | US10947203, No. LC-75)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23ClN2O3S/c1-13-20(24-19(23-13)17-12-15(22)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)21(2,3)4/h6-12H,1-5H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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