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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'mansour' and Initial = 'mn'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50073839
PNG
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50073823
PNG
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50073839
PNG
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50073823
PNG
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1
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62n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15413
PNG
(4-(4-fluorophenyl)-5-[1-(propan-2-yl)-1H-1,2,3-ben...)
Show SMILES CC(C)n1nnc2ccc(cc12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11(2)23-16-9-13(5-8-15(16)21-22-23)18-17(20-10-24-18)12-3-6-14(19)7-4-12/h3-11H,1-2H3
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n/an/a 0.900n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


J Med Chem 48: 5728-37 (2005)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2CR5RMP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50118009
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3nccs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-11-16-17(12-19(18)27-4-2)23-13-24-20(16)25-15-7-5-6-14(10-15)21-22-8-9-28-21/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
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)
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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)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117952
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-furan-2-yl-pheny...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3ccco3)c2cc1OCC
Show InChI InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
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)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095256
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
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)
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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


(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)
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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))
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)
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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15414
PNG
(4-(4-fluorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
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n/an/a 5n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


J Med Chem 48: 5728-37 (2005)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2CR5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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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)
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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)
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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))
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)
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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)
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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)
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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)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117986
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cc[nH]n3)c2cc1OCC
Show InChI InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117983
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-20/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50073830
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
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)
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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)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117970
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-4-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cscn3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15412
PNG
(5-[4-(4-Fluoro-phenyl)-oxazol-5-yl]-1-isopropyl-3-...)
Show SMILES CC(C)n1c2ccc(cc2n(C)c1=O)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-12(2)24-16-9-6-14(10-17(16)23(3)20(24)25)19-18(22-11-26-19)13-4-7-15(21)8-5-13/h4-12H,1-3H3
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n/an/a 30n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


J Med Chem 48: 5728-37 (2005)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2CR5RMP
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50073822
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C34H45N2O5P/c1-34(2,3)31(33(38)35-4)36-32(37)29(15-11-12-22-41-30-16-9-6-10-17-30)25-42(39,40)24-28-20-18-27(19-21-28)23-26-13-7-5-8-14-26/h5-10,13-14,16-21,29,31H,11-12,15,22-25H2,1-4H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m0/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
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)
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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)
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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)
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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)
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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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50073824
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCC(F)(F)F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H36F3N2O4P/c1-26(2,3)23(25(34)31-4)32-24(33)22(14-15-27(28,29)30)18-37(35,36)17-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,22-23H,14-18H2,1-4H3,(H,31,34)(H,32,33)(H,35,36)/t22?,23-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
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)
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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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50073833
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CC(C)C)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N2O4P/c1-20(2)16-24(26(31)30-25(27(32)29-6)28(3,4)5)19-35(33,34)18-23-14-12-22(13-15-23)17-21-10-8-7-9-11-21/h7-15,20,24-25H,16-19H2,1-6H3,(H,29,32)(H,30,31)(H,33,34)/t24?,25-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31154
PNG
(3-hydroxyquinolin-2(1H)-one, 8)
Show SMILES Oc1cc2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)
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n/an/a 100n/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)
Collagenase


(Homo sapiens (Human))
BDBM50073831
PNG
((4-Benzyl-benzyl)-[3-cyclobutyl-2-((R)-2,2-dimethy...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CC1CCC1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C29H41N2O4P/c1-29(2,3)26(28(33)30-4)31-27(32)25(18-22-11-8-12-22)20-36(34,35)19-24-15-13-23(14-16-24)17-21-9-6-5-7-10-21/h5-7,9-10,13-16,22,25-26H,8,11-12,17-20H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t25?,26-/m0/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31167
PNG
(naphthyridinone analog.,21)
Show SMILES Oc1cc2ncccc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-4-6-5(10-8(7)12)2-1-3-9-6/h1-4,11H,(H,10,12)
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n/an/a 128n/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))
BDBM31155
PNG
(3-hydroxyquinolin-2(1H)-one, 9)
Show SMILES Oc1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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n/an/a 155n/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))
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)
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n/an/a 180n/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
Collagenase


(Homo sapiens (Human))
BDBM50073833
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CC(C)C)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N2O4P/c1-20(2)16-24(26(31)30-25(27(32)29-6)28(3,4)5)19-35(33,34)18-23-14-12-22(13-15-23)17-21-10-8-7-9-11-21/h7-15,20,24-25H,16-19H2,1-6H3,(H,29,32)(H,30,31)(H,33,34)/t24?,25-/m0/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50073831
PNG
((4-Benzyl-benzyl)-[3-cyclobutyl-2-((R)-2,2-dimethy...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CC1CCC1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C29H41N2O4P/c1-29(2,3)26(28(33)30-4)31-27(32)25(18-22-11-8-12-22)20-36(34,35)19-24-15-13-23(14-16-24)17-21-9-6-5-7-10-21/h5-7,9-10,13-16,22,25-26H,8,11-12,17-20H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t25?,26-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
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)
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n/an/a 196n/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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM31158
PNG
(3-hydroxyquinolin-2(1H)-one, 12)
Show SMILES Cc1ccc2cc(O)c(=O)[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(12)10(13)11-8(7)4-6/h2-5,12H,1H3,(H,11,13)
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n/an/a 197n/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)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50073837
PNG
((4-Benzyl-benzyl)-[3-cyclopropyl-2-((R)-2,2-dimeth...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CC1CC1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C28H39N2O4P/c1-28(2,3)25(27(32)29-4)30-26(31)24(17-22-10-11-22)19-35(33,34)18-23-14-12-21(13-15-23)16-20-8-6-5-7-9-20/h5-9,12-15,22,24-25H,10-11,16-19H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t24?,25-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
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)
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n/an/a 200n/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
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
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)
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n/an/a 215n/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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50073846
PNG
((4-Benzyl-benzyl)-{2-[(R)-2-(4-hydroxy-phenyl)-1-m...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C(CC(C)C)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C31H39N2O5P/c1-22(2)17-27(30(35)33-29(31(36)32-3)19-25-13-15-28(34)16-14-25)21-39(37,38)20-26-11-9-24(10-12-26)18-23-7-5-4-6-8-23/h4-16,22,27,29,34H,17-21H2,1-3H3,(H,32,36)(H,33,35)(H,37,38)/t27?,29-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50073828
PNG
(Benzyl-[2-((R)-2,2-dimethyl-1-methylcarbamoyl-prop...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t21?,22-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
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)
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n/an/a 308n/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
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