new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'sakamuru' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354121
PNG
(CHEMBL1836238)
Show SMILES CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
Show InChI InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354120
PNG
(CHEMBL1836239)
Show SMILES CCOc1ccccc1-n1c(CN2CCCNCC2)nc2ccccc2c1=O |(5.33,.53,;4,-.24,;2.67,.53,;2.67,2.07,;4,2.84,;4,4.38,;2.67,5.15,;1.33,4.38,;1.33,2.84,;,2.07,;,.53,;1.33,-.24,;1.33,-1.78,;2.72,-2.45,;3.06,-3.95,;2.1,-5.15,;.56,-5.15,;-.4,-3.95,;-.05,-2.45,;-1.33,-.24,;-2.67,.53,;-4,-.24,;-5.33,.53,;-5.33,2.07,;-4,2.84,;-2.67,2.07,;-1.33,2.84,;-1.33,4.38,)|
Show InChI InChI=1S/C22H26N4O2/c1-2-28-20-11-6-5-10-19(20)26-21(16-25-14-7-12-23-13-15-25)24-18-9-4-3-8-17(18)22(26)27/h3-6,8-11,23H,2,7,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354128
PNG
(CHEMBL1836179)
Show SMILES COc1ccc(cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O)C(F)(F)F |(4.67,-1.92,;3.33,-1.15,;3.33,.39,;4.67,1.16,;4.67,2.7,;3.33,3.47,;2,2.7,;2,1.16,;.67,.39,;.67,-1.15,;2,-1.92,;2,-3.46,;.67,-4.24,;.67,-5.77,;2,-6.55,;3.33,-5.78,;3.33,-4.23,;-.67,-1.93,;-2,-1.16,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.39,;-3.33,1.16,;-2,.39,;-.67,1.16,;-.67,2.7,;3.33,5.01,;2,5.78,;4.67,5.78,;3.33,6.55,)|
Show InChI InChI=1S/C21H21F3N4O2/c1-30-18-7-6-14(21(22,23)24)12-17(18)28-19(13-27-10-8-25-9-11-27)26-16-5-3-2-4-15(16)20(28)29/h2-7,12,25H,8-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354125
PNG
(CHEMBL1345685)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(-1.34,-9.62,;-2.67,-8.85,;-2.67,-7.31,;-4.01,-6.54,;-5.34,-7.31,;-6.67,-6.54,;-6.67,-5,;-5.34,-4.23,;-4.01,-5,;-2.67,-4.23,;-2.67,-2.69,;-4.01,-1.92,;-4.01,-.38,;-5.34,.39,;-5.34,1.93,;-4.01,2.7,;-2.67,1.93,;-2.67,.39,;-4.01,4.24,;-5.34,5.01,;-2.67,5.01,;-2.51,6.54,;-1,6.86,;-.23,5.53,;-1.27,4.38,;-1.34,-1.92,;-0,-2.69,;1.33,-1.92,;2.66,-2.69,;2.66,-4.23,;1.33,-5,;-0,-4.23,;-1.34,-5,;-1.34,-6.54,)|
Show InChI InChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354119
PNG
(CHEMBL1836233)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(CC2)C(C)=O)nc2ccccc2c1=O |(5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;2.67,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-5.39,;2.67,-6.16,;,-6.16,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,)|
Show InChI InChI=1S/C23H26N4O3/c1-3-30-21-11-7-6-10-20(21)27-22(16-25-12-14-26(15-13-25)17(2)28)24-19-9-5-4-8-18(19)23(27)29/h4-11H,3,12-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354126
PNG
(CHEMBL1836236)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(C)CC2)nc2ccccc2c1=O |(5.33,1.15,;4,.38,;2.67,1.15,;2.67,2.69,;4,3.46,;4,5,;2.67,5.78,;1.33,5,;1.33,3.47,;,2.69,;,1.16,;1.33,.38,;1.33,-1.16,;,-1.93,;,-3.47,;1.33,-4.24,;1.33,-5.78,;2.67,-3.47,;2.67,-1.93,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-2.67,2.7,;-1.33,3.47,;-1.33,5,)|
Show InChI InChI=1S/C22H26N4O2/c1-3-28-20-11-7-6-10-19(20)26-21(16-25-14-12-24(2)13-15-25)23-18-9-5-4-8-17(18)22(26)27/h4-11H,3,12-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354122
PNG
(CHEMBL1836230)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2cccc(C)c2c1=O |(5.33,2.47,;4,1.7,;2.67,2.47,;2.67,4.01,;4,4.78,;4,6.32,;2.67,7.09,;1.33,6.32,;1.33,4.78,;,4.01,;,2.47,;1.33,1.7,;1.33,.16,;,-.61,;,-2.15,;1.33,-2.92,;2.67,-2.15,;2.67,-.61,;1.33,-4.46,;2.67,-5.23,;,-5.23,;-1.41,-4.61,;-2.44,-5.75,;-1.67,-7.09,;-.16,-6.77,;-1.33,1.7,;-2.67,2.47,;-4,1.7,;-5.33,2.47,;-5.33,4.01,;-4,4.78,;-4,6.32,;-2.67,4.01,;-1.33,4.78,;-1.33,6.32,)|
Show InChI InChI=1S/C27H28N4O4/c1-3-34-22-11-5-4-10-21(22)31-24(28-20-9-6-8-19(2)25(20)27(31)33)18-29-13-15-30(16-14-29)26(32)23-12-7-17-35-23/h4-12,17H,3,13-16,18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354117
PNG
(CHEMBL1836234)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccccc2)nc2ccccc2c1=O |(5.33,2.7,;4,1.93,;2.67,2.69,;2.67,4.24,;4,5.01,;4,6.54,;2.67,7.32,;1.33,6.55,;1.33,5.01,;,4.23,;,2.7,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;1.33,-4.24,;2.67,-5.01,;,-5.01,;-1.33,-4.24,;-2.67,-5.01,;-2.67,-6.55,;-1.33,-7.32,;,-6.55,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.24,;-4,5.01,;-2.67,4.24,;-1.33,5.01,;-1.33,6.54,)|
Show InChI InChI=1S/C28H28N4O3/c1-2-35-25-15-9-8-14-24(25)32-26(29-23-13-7-6-12-22(23)28(32)34)20-30-16-18-31(19-17-30)27(33)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354127
PNG
(CHEMBL1836177)
Show SMILES COc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(4.66,1.69,;3.33,2.46,;3.33,4,;4.67,4.77,;4.67,6.31,;3.34,7.08,;2,6.31,;2,4.77,;.67,4.01,;.66,2.47,;2,1.69,;1.99,.15,;.66,-.61,;.65,-2.15,;1.99,-2.93,;3.32,-2.16,;3.32,-.62,;1.98,-4.47,;3.32,-5.24,;.65,-5.23,;-.76,-4.6,;-1.79,-5.75,;-1.02,-7.08,;.48,-6.76,;-.67,1.7,;-2,2.47,;-3.34,1.7,;-4.67,2.48,;-4.67,4.02,;-3.33,4.78,;-2,4.01,;-.67,4.78,;-.66,6.32,)|
Show InChI InChI=1S/C25H24N4O4/c1-32-21-10-5-4-9-20(21)29-23(26-19-8-3-2-7-18(19)24(29)30)17-27-12-14-28(15-13-27)25(31)22-11-6-16-33-22/h2-11,16H,12-15,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354133
PNG
(CHEMBL1836184)
Show SMILES CCSc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
Show InChI InChI=1S/C21H24N4OS/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354130
PNG
(CHEMBL1836181)
Show SMILES CCNc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.23,;1.33,2.7,;,1.93,;,.38,;1.33,-.39,;1.33,-1.93,;,-2.7,;,-4.23,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
Show InChI InChI=1S/C21H25N5O/c1-2-23-18-9-5-6-10-19(18)26-20(15-25-13-11-22-12-14-25)24-17-8-4-3-7-16(17)21(26)27/h3-10,22-23H,2,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354129
PNG
(CHEMBL1836180)
Show SMILES COc1ccc(cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O)[N+]([O-])=O |(4.67,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;2,1.54,;.67,.77,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;3.33,-5.39,;3.33,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;3.33,5.39,;4.67,6.16,;2,6.16,)|
Show InChI InChI=1S/C20H21N5O4/c1-29-18-7-6-14(25(27)28)12-17(18)24-19(13-23-10-8-21-9-11-23)22-16-5-3-2-4-15(16)20(24)26/h2-7,12,21H,8-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354132
PNG
(CHEMBL1836183)
Show SMILES CC(C)COc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O |(6,-.38,;4.67,.38,;4.67,1.93,;3.33,-.38,;2,.38,;2,1.93,;3.33,2.7,;3.33,4.23,;2,5.01,;.67,4.23,;.67,2.7,;-.67,1.93,;-.67,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-.67,-4.23,;.67,-5.01,;2,-4.24,;2,-2.7,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.93,;-4.67,2.7,;-3.33,1.93,;-2,2.7,;-2,4.23,)|
Show InChI InChI=1S/C23H28N4O2/c1-17(2)16-29-21-10-6-5-9-20(21)27-22(15-26-13-11-24-12-14-26)25-19-8-4-3-7-18(19)23(27)28/h3-10,17,24H,11-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354116
PNG
(CHEMBL1836235)
Show SMILES CCOC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1 |(-1.33,-7.32,;,-6.55,;,-5.01,;1.33,-4.24,;2.67,-5.01,;1.33,-2.7,;2.67,-1.93,;2.67,-.39,;1.33,.38,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.23,;-4,5,;-2.67,4.23,;-1.33,5,;-1.33,6.54,;,4.23,;1.33,5.01,;1.33,6.55,;2.67,7.32,;4,6.54,;4,5,;2.67,4.23,;2.67,2.69,;4,1.92,;5.33,2.69,;,-.38,;,-1.93,)|
Show InChI InChI=1S/C24H28N4O4/c1-3-31-21-12-8-7-11-20(21)28-22(25-19-10-6-5-9-18(19)23(28)29)17-26-13-15-27(16-14-26)24(30)32-4-2/h5-12H,3-4,13-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354131
PNG
(CHEMBL1836182)
Show SMILES O=c1n(c(CN2CCNCC2)nc2ccccc12)-c1ccccc1OCc1ccccc1 |(-2.67,4.23,;-2.67,2.7,;-1.33,1.93,;-1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;-1.33,-4.23,;,-5.01,;1.33,-4.24,;1.33,-2.7,;-2.67,-.39,;-4,.38,;-5.33,-.39,;-6.67,.38,;-6.67,1.93,;-5.33,2.7,;-4,1.93,;,2.7,;,4.23,;1.33,5.01,;2.67,4.23,;2.67,2.7,;1.33,1.93,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.7,;4,1.93,)|
Show InChI InChI=1S/C26H26N4O2/c31-26-21-10-4-5-11-22(21)28-25(18-29-16-14-27-15-17-29)30(26)23-12-6-7-13-24(23)32-19-20-8-2-1-3-9-20/h1-13,27H,14-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.29E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354124
PNG
(CHEMBL1836237)
Show SMILES CCOc1ccccc1-n1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O |(5.33,2.69,;4,1.92,;2.67,2.69,;2.67,4.23,;4,5,;4,6.54,;2.67,7.32,;1.33,6.55,;1.33,5,;,4.23,;,2.69,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;1.33,-2.7,;1.33,-4.24,;2.67,-5.01,;2.67,-6.55,;4,-7.32,;5.33,-6.55,;5.33,-5.01,;4,-4.23,;2.67,-1.93,;2.67,-.39,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-5.33,4.23,;-4,5,;-2.67,4.23,;-1.33,5.01,;-1.33,6.54,)|
Show InChI InChI=1S/C28H30N4O2/c1-2-34-26-15-9-8-14-25(26)32-27(29-24-13-7-6-12-23(24)28(32)33)21-31-18-16-30(17-19-31)20-22-10-4-3-5-11-22/h3-15H,2,16-21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.75E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354123
PNG
(CHEMBL1833996)
Show SMILES CCOc1ccccc1-n1c(CC2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O |(5.33,2.47,;4,1.7,;2.67,2.47,;2.67,4.01,;4,4.78,;4,6.32,;2.67,7.09,;1.33,6.32,;1.33,4.78,;,4.01,;,2.47,;1.33,1.7,;1.33,.16,;2.67,-.61,;2.67,-2.15,;1.33,-2.92,;,-2.15,;,-.61,;1.33,-4.46,;2.67,-5.23,;,-5.23,;-1.41,-4.61,;-2.44,-5.75,;-1.67,-7.09,;-.16,-6.77,;-1.33,1.7,;-2.67,2.47,;-4,1.7,;-5.33,2.47,;-5.33,4.01,;-4,4.78,;-2.67,4.01,;-1.33,4.78,;-1.33,6.32,)|
Show InChI InChI=1S/C27H27N3O4/c1-2-33-23-11-6-5-10-22(23)30-25(28-21-9-4-3-8-20(21)26(30)31)18-19-13-15-29(16-14-19)27(32)24-12-7-17-34-24/h3-12,17,19H,2,13-16,18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.76E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50354118
PNG
(CHEMBL1836240)
Show SMILES CCOc1ccccc1-n1c(CN2CCOCC2)nc2ccccc2c1=O |(5.33,.38,;4,-.38,;2.67,.38,;2.67,1.93,;4,2.7,;4,4.23,;2.67,5.01,;1.33,4.24,;1.33,2.7,;,1.93,;,.38,;1.33,-.38,;1.33,-1.93,;2.67,-2.7,;2.67,-4.23,;1.33,-5.01,;,-4.23,;,-2.7,;-1.33,-.38,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.93,;-4,2.7,;-2.67,1.93,;-1.33,2.7,;-1.33,4.23,)|
Show InChI InChI=1S/C21H23N3O3/c1-2-27-19-10-6-5-9-18(19)24-20(15-23-11-13-26-14-12-23)22-17-8-4-3-7-16(17)21(24)25/h3-10H,2,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.76E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5239-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.043
BindingDB Entry DOI: 10.7270/Q2H70G65
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM22876
PNG
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50101963
PNG
(BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C |c:4,9|
Show InChI InChI=1/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM115054
PNG
(4-Amino-N-(2-amino-phenyl)-benzamide | 4-amino-N-(...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM115054
PNG
(4-Amino-N-(2-amino-phenyl)-benzamide | 4-amino-N-(...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.82E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103608
PNG
(Anti-Lewisite | CHEBI:64198 | DIMERCAPROL | Dimerc...)
Show SMILES OCC(S)CS
Show InChI InChI=1/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103631
PNG
(CHEBI:31625 | FLUOROMETHOLONE | Fluor-Op | Fluorom...)
Show SMILES [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50088492
PNG
(BUMECAINE | Bumecaine)
Show SMILES CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50103611
PNG
(CHEBI:31524 | DOPS | DROXIDOPA | Droxidopa | L-DOP...)
Show SMILES N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.31E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103636
PNG
(ADD-3878 | CHEBI:64227 | CIGLITAZONE | Ciglitazone...)
Show SMILES CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
Show InChI InChI=1/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.41E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50065387
PNG
(CHEBI:78886 | E319)
Show SMILES CC(C)(C)c1cc(O)ccc1O
Show InChI InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50103628
PNG
(CHEMBL1702784)
Show SMILES O=C1\C(CCC\C1=C\c1cccs1)=C/c1cccs1
Show InChI InChI=1S/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2/b12-10-,13-11-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103612
PNG
(CHEMBL2356116)
Show SMILES Cl.COc1ccc(CCN(CCc2ccc(OC)c(OC)c2OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c2ccccc2)c(OC)c1OC |t:27|
Show InChI InChI=1/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36;/h9-17,24-25,35H,18-23H2,1-8H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.58E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50088492
PNG
(BUMECAINE | Bumecaine)
Show SMILES CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1/C18H28N2O/c1-5-6-9-20-10-7-8-16(20)18(21)19-17-14(3)11-13(2)12-15(17)4/h11-12,16H,5-10H2,1-4H3,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.80E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50067593
PNG
(CHEBI:44032 | Crixivan | INDINAVIR | Indinavir | L...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 1.41E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.12E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50370232
PNG
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 3.50E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.16E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM78576
PNG
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM32073
PNG
((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Show SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.37E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 9.50E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50375318
PNG
(Fungistat | Gyno-Terazol | Panlomyc | R-42470 | TE...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.41E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103615
PNG
(CHEBI:34789 | HETACILLIN POTASSIUM | Hetacillin Po...)
Show SMILES [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103614
PNG
(FAMPROFAZONE | Famprofazone)
Show SMILES CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.41E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103606
PNG
(ORG-6216 | RIMEXOLONE | Rimexolone | Vexol)
Show SMILES [H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:28,t:24|
Show InChI InChI=1/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of PXR in human cryopreserved hepatocytes assessed as induction of CYP3A4


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103619
PNG
(CHEMBL1411951)
Show SMILES CCOP(=O)(OCC)O\C(=C\Cl)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.90E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50088493
PNG
(DICLAZURIL | Diclazuril | R-64433)
Show SMILES Clc1ccc(cc1)C(C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 9.00E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50103612
PNG
(CHEMBL2356116)
Show SMILES Cl.COc1ccc(CCN(CCc2ccc(OC)c(OC)c2OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c2ccccc2)c(OC)c1OC |t:27|
Show InChI InChI=1/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36;/h9-17,24-25,35H,18-23H2,1-8H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Rattus norvegicus)
BDBM50103635
PNG
(CARMINOMYCIN | CHEBI:31359 | Carminomycin)
Show SMILES [H][C@@]1(C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(C)=O)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 |r|
Show InChI InChI=1/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50103633
PNG
(EVRA | NORELGESTROMIN | Norelgestromin | ORTHO EVR...)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |r,c:21|
Show InChI InChI=1/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.51E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50088493
PNG
(DICLAZURIL | Diclazuril | R-64433)
Show SMILES Clc1ccc(cc1)C(C#N)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 7.90E+3n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)


Article DOI: 10.1124/dmd.110.035105
BindingDB Entry DOI: 10.7270/Q2JS9S5P
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 218 total )  |  Next  |  Last  >>
Jump to: