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BDBM50029074 2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methylindol-3-yl}acetic acid::CHEMBL6::DESMETHYL INDOMETHACIN::[1-(4-Chloro-benzoyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-acetic acid::[1-(4-Chloro-benzoyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-acetic acid( Indomethacin)

SMILES: Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KMLNWQPYFBIALN-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50029074   
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-1 (COX-1)


(Homo sapiens (Human))
BDBM50029074
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...)
Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
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CHEMBL
MMDB
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



NitroMed, Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production


J Med Chem 50: 6367-82 (2007)

More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50029074
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...)
Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
PDB

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CHEMBL
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PC cid
PC sid
UniChem

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PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aldose reductase (AR)


J Med Chem 44: 1718-28 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50029074
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...)
Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



NitroMed, Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production


J Med Chem 50: 6367-82 (2007)

More data for this
Ligand-Target Pair