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Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'foglesong' and Initial = 'rj'   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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1.70n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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3.5n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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7.20n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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13n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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190n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/a 3.10n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/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 5.40n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/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 5.40n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAAO (unknown origin)


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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n/an/a 11n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128796
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(C=CN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O |c:12|
Show InChI InChI=1S/C23H20BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-13,18,22-23,28-29H,14H2/t18?,22-,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128795
PNG
(4-(2-Bromo-phenyl)-6-(3,4-dihydroxy-phenyl)-5-nitr...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O5/c24-18-6-2-1-5-16(18)17-11-21(30)26(13-14-4-3-9-25-12-14)22(23(17)27(31)32)15-7-8-19(28)20(29)10-15/h1-10,12,17,22-23,28-29H,11,13H2/t17?,22-,23+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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n/an/a 35n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128800
PNG
(6-(3-Amino-4-hydroxy-phenyl)-4-(2-bromo-phenyl)-5-...)
Show SMILES Nc1cc(ccc1O)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H21BrN4O4/c24-18-6-2-1-5-16(18)17-11-21(30)27(13-14-4-3-9-26-12-14)22(23(17)28(31)32)15-7-8-20(29)19(25)10-15/h1-10,12,17,22-23,29H,11,13,25H2/t17?,22-,23+/m1/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3236
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES CS(=O)(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H26N2O10S/c1-40(37,38)29-18-5-2-6-19(31)23(18)25(34)24-20(32)12-15(13-21(24)33)27(36)39-22-7-3-4-17(22)28-26(35)14-8-10-16(30)11-9-14/h2,5-6,8-13,17,22,29-33H,3-4,7H2,1H3,(H,28,35)/t17-,22-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128789
PNG
(4-(2-Bromo-phenyl)-6-(4-hydroxy-phenyl)-5-nitro-1-...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O4/c24-20-6-2-1-5-18(20)19-12-21(29)26(14-15-4-3-11-25-13-15)22(23(19)27(30)31)16-7-9-17(28)10-8-16/h1-11,13,19,22-23,28H,12,14H2/t19?,22-,23+/m1/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3239
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|
Show InChI InChI=1S/C27H23N5O8/c33-15-9-7-13(8-10-15)26(38)28-17-4-2-6-21(17)40-27(39)14-11-19(35)23(20(36)12-14)24(37)22-16(3-1-5-18(22)34)25-29-31-32-30-25/h1,3,5,7-12,17,21,33-36H,2,4,6H2,(H,28,38)(H,29,30,31,32)/t17-,21-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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n/an/a 219n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3231
PNG
((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...)
Show SMILES COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H28N2O9/c1-38-23-5-2-4-19(32)25(23)26(35)24-20(33)12-16(13-21(24)34)28(37)39-22-6-3-11-29-14-18(22)30-27(36)15-7-9-17(31)10-8-15/h2,4-5,7-10,12-13,18,22,29,31-34H,3,6,11,14H2,1H3,(H,30,36)/t18-,22-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3239
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|
Show InChI InChI=1S/C27H23N5O8/c33-15-9-7-13(8-10-15)26(38)28-17-4-2-6-21(17)40-27(39)14-11-19(35)23(20(36)12-14)24(37)22-16(3-1-5-18(22)34)25-29-31-32-30-25/h1,3,5,7-12,17,21,33-36H,2,4,6H2,(H,28,38)(H,29,30,31,32)/t17-,21-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3228
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc23)c(O)c1 |r|
Show InChI InChI=1S/C29H24N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h1-12,20,24,30,32-35H,13-14H2,(H,31,37)/t20-,24-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3226
PNG
((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c23)c(O)c1 |r|
Show InChI InChI=1S/C28H26N2O9/c31-16-8-6-14(7-9-16)26(35)30-18-13-29-10-2-5-22(18)38-27(36)15-11-20(33)24(21(34)12-15)25-23-17(28(37)39-25)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,25,29,31-34H,2,5,10,13H2,(H,30,35)/t18-,22-,25?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
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n/an/a>310n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Bos taurus (bovine))
BDBM50128793
PNG
(4-(3-Chloro-phenyl)-6-(4-hydroxy-phenyl)-5-nitro-1...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1cccc(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C23H20ClN3O4/c24-18-5-1-4-17(11-18)20-12-21(29)26(14-15-3-2-10-25-13-15)22(23(20)27(30)31)16-6-8-19(28)9-7-16/h1-11,13,20,22-23,28H,12,14H2/t20?,22-,23+/m1/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3227
PNG
(1-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1ccc2ccccc2c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H24N2O9/c33-18-8-5-16(6-9-18)28(37)32-21-13-31-14-24(21)41-30(40)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-20(25)29(38)39/h1-12,21,24,31,33-35H,13-14H2,(H,32,37)(H,38,39)/t21-,24-/m1/s1
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Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
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