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PDB code 4GHI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (111/112 > 99%)
(Homo sapiens (Human))
BDBM50426208
PNG
(CHEMBL2311933)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
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MCE
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Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay


J Med Chem 61: 9691-9721 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01196
BindingDB Entry DOI: 10.7270/Q2H997RJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelial PAS domain-containing protein 1

  (111/112 > 99%)
(Homo sapiens (Human))
BDBM50426208
PNG
(CHEMBL2311933)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output