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SMILES: OC(=O)Cc1cccn1-c1ccccc1F

InChI Key: InChIKey=XOJPIEDVJHMQEJ-UHFFFAOYSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213563   
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
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213563
PNG
(2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1cccn1-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(14)8-12(15)16/h1-7H,8H2,(H,15,16)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50213563
PNG
(2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1cccn1-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(14)8-12(15)16/h1-7H,8H2,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50213563
PNG
(2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1cccn1-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(14)8-12(15)16/h1-7H,8H2,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.98E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair