BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 157.1
BDBM12414
Purchase
Wt: 145.1
BDBM32203
Purchase
Wt: 205.1
BDBM50113313
Purchase
Wt: 243.2
BDBM50161738
Wt: 251.2
BDBM50161739
Wt: 215.2
BDBM50161740
Wt: 231.2
BDBM50161741
Wt: 225.2
BDBM50161742
Wt: 191.2
BDBM50182424
Wt: 217.6
BDBM50182425
Wt: 212.2
BDBM50182426
Wt: 128.1
BDBM50182427
Wt: 252.2
BDBM50197681
Wt: 234.2
BDBM50197675
Wt: 251.2
BDBM50197670
Displayed 1 to 15 (of 390 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 62 hits in this display   
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
Carbonic anhydrase


(Bos taurus)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
178n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
178n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
305n/an/an/an/an/an/an/an/a



Union Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method


J Med Chem 55: 3513-20 (2012)


Article DOI: 10.1021/jm300203r
BindingDB Entry DOI: 10.7270/Q2RX9D4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
430n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.009
BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1.10E+3 -34.0n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.97E+3n/an/an/an/an/an/an/an/a



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging


Nat Chem Biol 5: 341-3 (2009)


Article DOI: 10.1038/nchembio.157
BindingDB Entry DOI: 10.7270/Q2W37WHV
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4.11E+3 -30.7n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
5.87E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University

Curated by ChEMBL


Assay Description
Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis


Bioorg Med Chem 21: 1522-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.018
BindingDB Entry DOI: 10.7270/Q2NG4S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Artvin£oruh University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate


Bioorg Med Chem Lett 22: 1352-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.069
BindingDB Entry DOI: 10.7270/Q2WH2QF4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4.00E+4 -25.1n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4.00E+4n/an/an/an/an/an/an/an/a



Gebze Technical University

Curated by ChEMBL


Assay Description
Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...


Bioorg Med Chem 23: 7353-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.009
BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113313
PNG
(4,8-Dihydroxy-quinoline-2-carboxylic acid anion | ...)
Show SMILES OC(=O)c1cc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.90E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)


Article DOI: 10.1021/jm010261z
BindingDB Entry DOI: 10.7270/Q2NK3FRR
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.14E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


J Med Chem 52: 48-61 (2009)


Article DOI: 10.1021/jm8008019
BindingDB Entry DOI: 10.7270/Q28P60BR
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE by Ellman's reaction


J Med Chem 53: 4927-37 (2010)


Article DOI: 10.1021/jm100329q
BindingDB Entry DOI: 10.7270/Q22Z15QR
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.27E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST/His6-tagged methionine aminopeptidase 2 expressed in baculovirus infected sf9 cells using ...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)


Article DOI: 10.1021/jm00067a012
BindingDB Entry DOI: 10.7270/Q2GX49N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161742
PNG
(CHEMBL178391 | benzaldehyde O-benzoyloxime)
Show SMILES O=C(O\N=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human Low density lipoprotein-associated phospholipase A2


Bioorg Med Chem Lett 16: 5576-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.031
BindingDB Entry DOI: 10.7270/Q2TM79RH
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161742
PNG
(CHEMBL178391 | benzaldehyde O-benzoyloxime)
Show SMILES O=C(O\N=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161738
PNG
(4-fluorobenzaldehyde O-benzoyloxime | CHEMBL180720)
Show SMILES Fc1ccc(\C=N\OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human Low density lipoprotein-associated phospholipase A2


Bioorg Med Chem Lett 16: 5576-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.031
BindingDB Entry DOI: 10.7270/Q2TM79RH
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161738
PNG
(4-fluorobenzaldehyde O-benzoyloxime | CHEMBL180720)
Show SMILES Fc1ccc(\C=N\OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50197670
PNG
(CHEMBL3966789)
Show SMILES CC1(C)CN(CCOc2ccc(F)cc2)C(=O)C1
Show InChI InChI=1S/C14H18FNO2/c1-14(2)9-13(17)16(10-14)7-8-18-12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3
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 1.10E+4n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161741
PNG
((E)-(thiophen-2-ylmethylidene)amino benzoate | CHE...)
Show SMILES O=C(O\N=C\c1cccs1)c1ccccc1
Show InChI InChI=1S/C12H9NO2S/c14-12(10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11/h1-9H/b13-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged methionine aminopeptidase 1 expressed in Escherichia coli BL21(DE3) using methionylprolyl-p-ni...


Bioorg Med Chem 25: 813-824 (2017)


Article DOI: 10.1016/j.bmc.2016.11.013
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details

Article DOI: 10.1021/ml400034m
BindingDB Entry DOI: 10.7270/Q2XW4M72
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1


Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161739
PNG
((1E,2E)-3-phenylacrylaldehyde O-benzoyloxime | CHE...)
Show SMILES O=C(O\N=C\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-16(15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,17-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50161740
PNG
((E)-(furan-2-ylmethylidene)amino benzoate | CHEMBL...)
Show SMILES O=C(O\N=C\c1ccco1)c1ccccc1
Show InChI InChI=1S/C12H9NO3/c14-12(10-5-2-1-3-6-10)16-13-9-11-7-4-8-15-11/h1-9H/b13-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2


Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...


J Med Chem 57: 669-76 (2014)


Article DOI: 10.1021/jm4012164
BindingDB Entry DOI: 10.7270/Q2GH9KDZ
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50197681
PNG
(CHEMBL3895499)
Show SMILES CC1(C)CN(CCOc2ccc(F)cc2)C(=O)N1
Show InChI InChI=1S/C13H17FN2O2/c1-13(2)9-16(12(17)15-13)7-8-18-11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3,(H,15,17)
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 3.90E+4n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50113313
PNG
(4,8-Dihydroxy-quinoline-2-carboxylic acid anion | ...)
Show SMILES OC(=O)c1cc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrat...


Bioorg Med Chem Lett 22: 868-71 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.045
BindingDB Entry DOI: 10.7270/Q2XG9RMD
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrat...


Bioorg Med Chem Lett 22: 868-71 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.045
BindingDB Entry DOI: 10.7270/Q2XG9RMD
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50113313
PNG
(4,8-Dihydroxy-quinoline-2-carboxylic acid anion | ...)
Show SMILES OC(=O)c1cc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrat...


Bioorg Med Chem Lett 22: 868-71 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.045
BindingDB Entry DOI: 10.7270/Q2XG9RMD
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrat...


Bioorg Med Chem Lett 22: 868-71 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.045
BindingDB Entry DOI: 10.7270/Q2XG9RMD
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182425
PNG
(CHEMBL3819345)
Show SMILES Cc1ccc(N)cc1-c1ccccc1Cl
Show InChI InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182425
PNG
(CHEMBL3819345)
Show SMILES Cc1ccc(N)cc1-c1ccccc1Cl
Show InChI InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 3.00E+5n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


US Patent US9394254 (2016)


BindingDB Entry DOI: 10.7270/Q2251H3W
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


J Med Chem 52: 48-61 (2009)


Article DOI: 10.1021/jm8008019
BindingDB Entry DOI: 10.7270/Q28P60BR
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182424
PNG
(CHEMBL3818090)
Show SMILES Fc1cccc(c1)C(=O)N1CC=CC1
Show InChI InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182426
PNG
(CHEMBL3819543)
Show SMILES CC(C)COc1cc(=O)n(C)c(=O)n1C
Show InChI InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182427
PNG
(CHEMBL3181806)
Show SMILES CC1(C)NC(=O)NC1=O
Show InChI InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 62 total )  |  Next  |  Last  >>