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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' and Ligand = 'BDBM50105268'   
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))
BDBM50105268
PNG
(CHEMBL3597690)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H14BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/m0/s1
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 248n/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))
BDBM50105268
PNG
(CHEMBL3597690)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1 |r|
Show InChI InChI=1S/C16H14BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 487n/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