BindingDB logo
myBDB logout

PubMed code 1995900

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+3n/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
3D
3D Structure (crystal)
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)-Homo sapiens (human))
BDBM50229180
PNG
(CLOBUZARIT | Clobuzarit | ICI-55897)
Show SMILES CC(C)(OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.50E+5n/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
Cyclooxygenase


(Homo sapiens (Human)-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
* indicates data uncertainty>20%