BindingDB logo
myBDB logout

PubMed code 11462976

Compile data set for download or QSAR
Found 20 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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
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
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
PubMed
n/an/a 9n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102311
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cnc2c(c(nn2c1C)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-23-21-19(15-4-8-17(22)9-5-15)20(24-25(21)14(13)2)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102309
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-7...)
Show SMILES Cc1ccnc2c(c(nn12)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-12-22-20-18(14-3-7-16(21)8-4-14)19(23-24(13)20)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
PubMed
n/an/a 80n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102307
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1cc(C)n2nc(c(-c3ccc(F)cc3)c2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-14(2)25-21(23-13)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 154n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102308
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1nc2c(c(nn2c(C)c1C)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN3O2S/c1-13-14(2)24-22-20(16-5-9-18(23)10-6-16)21(25-26(22)15(13)3)17-7-11-19(12-8-17)29(4,27)28/h5-12H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 192n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102312
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cnc2c(c(nn2c1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-22-20-18(14-3-7-16(21)8-4-14)19(23-24(20)12-13)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 267n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102310
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1ccn2nc(c(-c3ccc(F)cc3)c2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-12-24-20(22-13)18(14-3-7-16(21)8-4-14)19(23-24)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 504n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102306
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1cn2nc(c(-c3ccc(F)cc3)c2nc1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-25-21(23-14(13)2)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.13E+3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50102313
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn2cccnc2c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)16-9-5-14(6-10-16)18-17(13-3-7-15(20)8-4-13)19-21-11-2-12-23(19)22-18/h2-12H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102311
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cnc2c(c(nn2c1C)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-23-21-19(15-4-8-17(22)9-5-15)20(24-25(21)14(13)2)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102312
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...)
Show SMILES Cc1cnc2c(c(nn2c1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-22-20-18(14-3-7-16(21)8-4-14)19(23-24(20)12-13)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102313
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn2cccnc2c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H14FN3O2S/c1-26(24,25)16-9-5-14(6-10-16)18-17(13-3-7-15(20)8-4-13)19-21-11-2-12-23(19)22-18/h2-12H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102306
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1cn2nc(c(-c3ccc(F)cc3)c2nc1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-25-21(23-14(13)2)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102309
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-7...)
Show SMILES Cc1ccnc2c(c(nn12)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-12-22-20-18(14-3-7-16(21)8-4-14)19(23-24(13)20)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102307
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1cc(C)n2nc(c(-c3ccc(F)cc3)c2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-14(2)25-21(23-13)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102310
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1ccn2nc(c(-c3ccc(F)cc3)c2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-12-24-20(22-13)18(14-3-7-16(21)8-4-14)19(23-24)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50102308
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES Cc1nc2c(c(nn2c(C)c1C)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN3O2S/c1-13-14(2)24-22-20(16-5-9-18(23)10-6-16)21(25-26(22)15(13)3)17-7-11-19(12-8-17)29(4,27)28/h5-12H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%