new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'el-kattan' and Initial = 'a'   
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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18425
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(4-methylphenyl)...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O5/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346286
PNG
(CHEMBL1782559 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2cccc(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H29F2N3O5/c28-19-8-6-18(7-9-19)26-31-24(27(37)30-15-16-2-1-3-20(29)12-16)25(17-4-5-17)32(26)11-10-21(33)13-22(34)14-23(35)36/h1-3,6-9,12,17,21-22,33-34H,4-5,10-11,13-15H2,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346283
PNG
(CHEMBL1782556 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES COc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r|
Show InChI InChI=1S/C28H32FN3O6/c1-38-23-4-2-3-17(13-23)16-30-28(37)25-26(18-5-6-18)32(12-11-21(33)14-22(34)15-24(35)36)27(31-25)19-7-9-20(29)10-8-19/h2-4,7-10,13,18,21-22,33-34H,5-6,11-12,14-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346288
PNG
(CHEMBL1782560 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)c(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H28F3N3O5/c28-18-6-4-17(5-7-18)26-32-24(27(38)31-14-15-1-8-21(29)22(30)11-15)25(16-2-3-16)33(26)10-9-19(34)12-20(35)13-23(36)37/h1,4-8,11,16,19-20,34-35H,2-3,9-10,12-14H2,(H,31,38)(H,36,37)/p-1/t19-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346289
PNG
(CHEMBL1782561 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)cc2F)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H28F3N3O5/c28-18-6-3-16(4-7-18)26-32-24(27(38)31-14-17-5-8-19(29)11-22(17)30)25(15-1-2-15)33(26)10-9-20(34)12-21(35)13-23(36)37/h3-8,11,15,20-21,34-35H,1-2,9-10,12-14H2,(H,31,38)(H,36,37)/p-1/t20-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346282
PNG
(CHEMBL1782555 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Show InChI InChI=1S/C28H32FN3O6/c1-38-23-10-2-17(3-11-23)16-30-28(37)25-26(18-4-5-18)32(13-12-21(33)14-22(34)15-24(35)36)27(31-25)19-6-8-20(29)9-7-19/h2-3,6-11,18,21-22,33-34H,4-5,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346278
PNG
(CHEMBL1782551 | sodium(3R,5R)-7-(4-(benzylcarbamoy...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccccc2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H30FN3O5/c28-20-10-8-19(9-11-20)26-30-24(27(36)29-16-17-4-2-1-3-5-17)25(18-6-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35/h1-5,8-11,18,21-22,32-33H,6-7,12-16H2,(H,29,36)(H,34,35)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346287
PNG
(CHEMBL1782062 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccccc2F)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H29F2N3O5/c28-19-9-7-17(8-10-19)26-31-24(27(37)30-15-18-3-1-2-4-22(18)29)25(16-5-6-16)32(26)12-11-20(33)13-21(34)14-23(35)36/h1-4,7-10,16,20-21,33-34H,5-6,11-15H2,(H,30,37)(H,35,36)/p-1/t20-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346279
PNG
(CHEMBL1782552 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Show InChI InChI=1S/C28H32FN3O5/c1-17-2-4-18(5-3-17)16-30-28(37)25-26(19-6-7-19)32(13-12-22(33)14-23(34)15-24(35)36)27(31-25)20-8-10-21(29)11-9-20/h2-5,8-11,19,22-23,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31149
PNG
(3-hydroxyquinolin-2(1H)-one, 3)
Show SMILES Oc1cc2cccc(F)c2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31173
PNG
(naphthyridinone analog., 27)
Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O
Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346285
PNG
(CHEMBL1782558 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)cc2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r|
Show InChI InChI=1S/C27H29F2N3O5/c28-19-7-1-16(2-8-19)15-30-27(37)24-25(17-3-4-17)32(12-11-21(33)13-22(34)14-23(35)36)26(31-24)18-5-9-20(29)10-6-18/h1-2,5-10,17,21-22,33-34H,3-4,11-15H2,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346291
PNG
(CHEMBL1782563 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1F |r|
Show InChI InChI=1S/C28H31F2N3O6/c1-39-23-9-2-16(12-22(23)30)15-31-28(38)25-26(17-3-4-17)33(11-10-20(34)13-21(35)14-24(36)37)27(32-25)18-5-7-19(29)8-6-18/h2,5-9,12,17,20-21,34-35H,3-4,10-11,13-15H2,1H3,(H,31,38)(H,36,37)/p-1/t20-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50134771
PNG
(CHEMBL3754515)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 4n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31156
PNG
(3-hydroxyquinolin-2(1H)-one, 10)
Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM31173
PNG
(naphthyridinone analog., 27)
Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O
Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346290
PNG
(CHEMBL1782562 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1F |r|
Show InChI InChI=1S/C28H31F2N3O5/c1-16-2-3-17(12-23(16)30)15-31-28(38)25-26(18-4-5-18)33(11-10-21(34)13-22(35)14-24(36)37)27(32-25)19-6-8-20(29)9-7-19/h2-3,6-9,12,18,21-22,34-35H,4-5,10-11,13-15H2,1H3,(H,31,38)(H,36,37)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346293
PNG
(CHEMBL1782565 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)
Show SMILES CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Show InChI InChI=1S/C29H35FN4O7S/c1-33(2)42(40,41)24-11-3-18(4-12-24)17-31-29(39)26-27(19-5-6-19)34(14-13-22(35)15-23(36)16-25(37)38)28(32-26)20-7-9-21(30)10-8-20/h3-4,7-12,19,22-23,35-36H,5-6,13-17H2,1-2H3,(H,31,39)(H,37,38)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346281
PNG
(CHEMBL1782554 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES Cc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C1CC1 |r|
Show InChI InChI=1S/C28H32FN3O5/c1-17-4-2-3-5-20(17)16-30-28(37)25-26(18-6-7-18)32(13-12-22(33)14-23(34)15-24(35)36)27(31-25)19-8-10-21(29)11-9-19/h2-5,8-11,18,22-23,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31172
PNG
(3-hydroxyquinolin-2(1H)-one, 26)
Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O
Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346284
PNG
(CHEMBL1782557 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES COc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C1CC1 |r|
Show InChI InChI=1S/C28H32FN3O6/c1-38-23-5-3-2-4-19(23)16-30-28(37)25-26(17-6-7-17)32(13-12-21(33)14-22(34)15-24(35)36)27(31-25)18-8-10-20(29)11-9-18/h2-5,8-11,17,21-22,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346292
PNG
(CHEMBL1782564 | sodium(3R,5R)-7-(4-(4-carbamoylben...)
Show SMILES NC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r|
Show InChI InChI=1S/C28H31FN4O6/c29-20-9-7-19(8-10-20)27-32-24(28(39)31-15-16-1-3-18(4-2-16)26(30)38)25(17-5-6-17)33(27)12-11-21(34)13-22(35)14-23(36)37/h1-4,7-10,17,21-22,34-35H,5-6,11-15H2,(H2,30,38)(H,31,39)(H,36,37)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346280
PNG
(CHEMBL1782553 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)
Show SMILES Cc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r|
Show InChI InChI=1S/C28H32FN3O5/c1-17-3-2-4-18(13-17)16-30-28(37)25-26(19-5-6-19)32(12-11-22(33)14-23(34)15-24(35)36)27(31-25)20-7-9-21(29)10-8-20/h2-4,7-10,13,19,22-23,33-34H,5-6,11-12,14-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346277
PNG
(CHEMBL1782550 | sodium(3R,5R)-7-(4-(benzylcarbamoy...)
Show SMILES CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C27H32FN3O5/c1-17(2)25-24(27(36)29-16-18-6-4-3-5-7-18)30-26(19-8-10-20(28)11-9-19)31(25)13-12-21(32)14-22(33)15-23(34)35/h3-11,17,21-22,32-33H,12-16H2,1-2H3,(H,29,36)(H,34,35)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31161
PNG
(3-hydroxyquinolin-2(1H)-one, 15)
Show SMILES CCc1cccc2[nH]c(=O)c(O)cc12
Show InChI InChI=1S/C11H11NO2/c1-2-7-4-3-5-9-8(7)6-10(13)11(14)12-9/h3-6,13H,2H2,1H3,(H,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31152
PNG
(3-hydroxyquinolin-2(1H)-one, 6)
Show SMILES Oc1cc2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31164
PNG
(naphthyridinone analog.,18)
Show SMILES Oc1cc2cccnc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4,11H,(H,9,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50134771
PNG
(CHEMBL3754515)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MINK (unknown origin) in presence of ATP (Km)


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 9n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31151
PNG
(3-hydroxyquinolin-2(1H)-one, 5)
Show SMILES Oc1cc2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31150
PNG
(3-hydroxyquinolin-2(1H)-one, 4)
Show SMILES Oc1cc2ccc(F)cc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138160
PNG
(CHEMBL3753424)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50134771
PNG
(CHEMBL3754515)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) in presence of ATP (Km)


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50134772
PNG
(CHEMBL3754123)
Show SMILES Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31160
PNG
(3-hydroxyquinolin-2(1H)-one, 14)
Show SMILES Cc1cccc2[nH]c(=O)c(O)cc12
Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(12)10(13)11-8/h2-5,12H,1H3,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138128
PNG
(CHEMBL3754730)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C16H12ClN3O/c17-13-3-1-10(2-4-13)14-7-12(9-20-16(14)18)11-5-6-19-15(21)8-11/h1-9H,(H2,18,20)(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138153
PNG
(CHEMBL3754283)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50346276
PNG
(CHEMBL1782549 | sodium(3R,5R)-7-(4-(benzylcarbamoy...)
Show SMILES CCCc1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C27H32FN3O5/c1-2-6-23-25(27(36)29-17-18-7-4-3-5-8-18)30-26(19-9-11-20(28)12-10-19)31(23)14-13-21(32)15-22(33)16-24(34)35/h3-5,7-12,21-22,32-33H,2,6,13-17H2,1H3,(H,29,36)(H,34,35)/p-1/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...


Bioorg Med Chem Lett 21: 2725-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.103
BindingDB Entry DOI: 10.7270/Q2H995J1
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31165
PNG
(naphthyridinone analog.,19)
Show SMILES Oc1cc2cnccc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-4,11H,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31153
PNG
(3-hydroxyquinolin-2(1H)-one, 7)
Show SMILES Oc1cc2cccc(Cl)c2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31157
PNG
(3-hydroxyquinolin-2(1H)-one, 11)
Show SMILES Cc1cccc2cc(O)c(=O)[nH]c12
Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(12)10(13)11-9(6)7/h2-5,12H,1H3,(H,11,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM31156
PNG
(3-hydroxyquinolin-2(1H)-one, 10)
Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138158
PNG
(CHEMBL3752854)
Show SMILES COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H16N2O2/c1-23-18-8-6-14(7-9-18)17-10-16(11-21-12-17)13-2-4-15(5-3-13)19(20)22/h2-12H,1H3,(H2,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50134774
PNG
(CHEMBL3754588)
Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138162
PNG
(CHEMBL3752433)
Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1
Show InChI InChI=1S/C21H18N2O2/c22-21(24)16-3-1-14(2-4-16)17-11-18(13-23-12-17)15-5-7-19(8-6-15)25-20-9-10-20/h1-8,11-13,20H,9-10H2,(H2,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM31172
PNG
(3-hydroxyquinolin-2(1H)-one, 26)
Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O
Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138155
PNG
(CHEMBL3754304)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-13(7-9-16)17-10-15(11-22-18(17)20)12-2-4-14(5-3-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50080153
PNG
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)
Show SMILES NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane


Bioorg Med Chem Lett 16: 2333-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.05.016
BindingDB Entry DOI: 10.7270/Q2CV4JJZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 161 total )  |  Next  |  Last  >>
Jump to: