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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' and Ligand = 'BDBM50105310'   
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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00529
BindingDB Entry DOI: 10.7270/Q2G162K1
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha in human Hep3B cells assessed as downregulation of EPO mRNA expression by RT-PCR analysis


J Med Chem 58: 5930-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00529
BindingDB Entry DOI: 10.7270/Q2G162K1
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to His6-Gbeta1-fused HIF-2alpha PAS-B domain S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli by ITC analysi...


J Med Chem 58: 5930-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00529
BindingDB Entry DOI: 10.7270/Q2G162K1
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/an/a 23n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type His6-Gbeta1-fused HIF-2alpha PAS-B domain (240 to 350) (unknown origin) expressed in Escherichia coli by ITC analysis


J Med Chem 58: 5930-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00529
BindingDB Entry DOI: 10.7270/Q2G162K1
More data for this
Ligand-Target Pair