BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 16 hits from Bhupat and Jyoti Mehta School of Biosciences   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of COX-1 (unknown origin)


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50207307
PNG
(CHEMBL3977578)
Show SMILES Oc1ccc(cc1O)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H10O4/c16-12-6-5-10(7-13(12)17)14-8-9-3-1-2-4-11(9)15(18)19-14/h1-8,16-17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207302
PNG
(CHEMBL3962191)
Show SMILES COc1cc(ccc1O)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12O4/c1-19-15-9-11(6-7-13(15)17)14-8-10-4-2-3-5-12(10)16(18)20-14/h2-9,17H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207309
PNG
(CHEMBL71115)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(O)c2c(=O)o1
Show InChI InChI=1S/C15H10O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-8,16-17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207308
PNG
(CHEMBL3958911)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)14-8-11-6-4-5-7-13(11)18(19)23-14/h4-10H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207306
PNG
(CHEMBL2140153)
Show SMILES O=c1oc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207305
PNG
(CHEMBL3889873)
Show SMILES COc1ccc(cc1O)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12O4/c1-19-14-7-6-11(8-13(14)17)15-9-10-4-2-3-5-12(10)16(18)20-15/h2-9,17H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207310
PNG
(CHEMBL3923896)
Show SMILES COc1ccc(cc1O)-c1cc2cccc(O)c2c(=O)o1
Show InChI InChI=1S/C16H12O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-8,17-18H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50207311
PNG
(CHEMBL3951603)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cccc(O)c2c(=O)o1
Show InChI InChI=1S/C18H16O6/c1-21-14-8-11(9-15(22-2)17(14)23-3)13-7-10-5-4-6-12(19)16(10)18(20)24-13/h4-9,19H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.24E+4n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207304
PNG
(CHEMBL3927559)
Show SMILES COc1cc(ccc1O)-c1cc2cccc(O)c2c(=O)o1
Show InChI InChI=1S/C16H12O5/c1-20-14-7-9(5-6-11(14)17)13-8-10-3-2-4-12(18)15(10)16(19)21-13/h2-8,17-18H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50207308
PNG
(CHEMBL3958911)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)14-8-11-6-4-5-7-13(11)18(19)23-14/h4-10H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50207302
PNG
(CHEMBL3962191)
Show SMILES COc1cc(ccc1O)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12O4/c1-19-15-9-11(6-7-13(15)17)14-8-10-4-2-3-5-12(10)16(18)20-14/h2-9,17H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.28E+4n/an/an/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Bhupat and Jyoti Mehta School of Biosciences

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in PGE2 production


Eur J Med Chem 124: 428-434 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.066
BindingDB Entry DOI: 10.7270/Q2639RRW
More data for this
Ligand-Target Pair