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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase' and Ligand = 'BDBM50229181'   
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


(RAT)
BDBM50229181
PNG
(ROMAZARIT | Ro-313948000 | Romazarit)
Show SMILES Cc1nc(oc1COC(C)(C)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-9-12(8-20-15(2,3)14(18)19)21-13(17-9)10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin synthetase in rat renal medulla


J Med Chem 34: 772-7 (1991)


Article DOI: 10.1021/jm00106a044
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50229181
PNG
(ROMAZARIT | Ro-313948000 | Romazarit)
Show SMILES Cc1nc(oc1COC(C)(C)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-9-12(8-20-15(2,3)14(18)19)21-13(17-9)10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+6n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin synthetase in sheep seminal vesicle


J Med Chem 34: 772-7 (1991)


Article DOI: 10.1021/jm00106a044
More data for this
Ligand-Target Pair