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BDBM50375607 CHEMBL259218

SMILES: Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1

InChI Key: InChIKey=ZDDWMWKQAQNCBL-UHFFFAOYSA-N

Data: 3 KI  4 IC50

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 7 hits for monomerid = 50375607   
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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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PubMed
820n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
PDB
MMDB

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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
PDB

KEGG

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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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UniChem

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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 for 20 mins pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human COX2 for 20 mins pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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 47n/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair