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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1 (COX-1)' and Ligand = 'BDBM50097346'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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PubMed
87n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)

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


(Homo sapiens (Human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
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PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cell-free canine COX-1


J Med Chem 44: 641-59 (2001)

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


(Homo sapiens (Human))
BDBM50097346
PNG
((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...)
Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 18: 4655-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.018
More data for this
Ligand-Target Pair