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SMILES: OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F

InChI Key: InChIKey=CJALQIMLCKESQF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 282598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282598
PNG
(5-(3-Chloro-5-fluorophenoxy)-2,2-difluoro-3- hydro...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C15H7ClF6O4S/c16-6-3-7(17)5-8(4-6)26-9-1-2-10-11(12(9)14(18,19)20)13(23)15(21,22)27(10,24)25/h1-5,13,23H
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US Patent
n/an/a<5n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM282598
PNG
(5-(3-Chloro-5-fluorophenoxy)-2,2-difluoro-3- hydro...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C15H7ClF6O4S/c16-6-3-7(17)5-8(4-6)26-9-1-2-10-11(12(9)14(18,19)20)13(23)15(21,22)27(10,24)25/h1-5,13,23H
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Article
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n/an/an/an/a 100n/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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM282598
PNG
(5-(3-Chloro-5-fluorophenoxy)-2,2-difluoro-3- hydro...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C15H7ClF6O4S/c16-6-3-7(17)5-8(4-6)26-9-1-2-10-11(12(9)14(18,19)20)13(23)15(21,22)27(10,24)25/h1-5,13,23H
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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
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282598
PNG
(5-(3-Chloro-5-fluorophenoxy)-2,2-difluoro-3- hydro...)
Show SMILES OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
Show InChI InChI=1S/C15H7ClF6O4S/c16-6-3-7(17)5-8(4-6)26-9-1-2-10-11(12(9)14(18,19)20)13(23)15(21,22)27(10,24)25/h1-5,13,23H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 89n/an/an/an/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
About 7500 of 786-O cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair