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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 = 'BDBM282581'   
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))
BDBM282581
PNG
(4-Bromo-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C14H7BrClF3O4S/c15-12-9(23-8-4-6(16)3-7(17)5-8)1-2-10-11(12)13(20)14(18,19)24(10,21)22/h1-5,13,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5n/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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM282581
PNG
(4-Bromo-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C14H7BrClF3O4S/c15-12-9(23-8-4-6(16)3-7(17)5-8)1-2-10-11(12)13(20)14(18,19)24(10,21)22/h1-5,13,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 43n/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF responsive element after 24 hrs by ONE-Glo luciferase reporter gene 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