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BDBM50112548 2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(3-hydroxy-propyl)-acetamide::2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}-N-(3-hydroxypropyl)acetamide::CHEMBL25725::Indomethacin 3-hydroxypropylamide

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1

InChI Key: InChIKey=JKOWVRMWEPTPOD-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50112548   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50112548
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 1


Bioorg Med Chem Lett 12: 1315-8 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50112548
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+3n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50112548
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.80E+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
Cyclooxygenase


(Homo sapiens (human))
BDBM50112548
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-14-18(13-21(27)24-10-3-11-26)19-12-17(29-2)8-9-20(19)25(14)22(28)15-4-6-16(23)7-5-15/h4-9,12,26H,3,10-11,13H2,1-2H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 220n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin G/H synthase 2


Bioorg Med Chem Lett 12: 1315-8 (2002)

More data for this
Ligand-Target Pair