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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'nam' and Initial = 'nh'   
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
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222236
PNG
(4-((7-Chloro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cccc(Cl)c23)cc1
Show InChI InChI=1S/C16H12ClN3O4/c17-12-3-1-2-11-13(18-23)16(22)20(14(11)12)8-9-4-6-10(7-5-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-13-
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n/an/a 440n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222235
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-5-methoxy-2-oxoindo...)
Show SMILES COc1ccc2N(Cc3ccc(cc3)C(=O)NO)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C17H15N3O5/c1-25-12-6-7-14-13(8-12)15(18-23)17(22)20(14)9-10-2-4-11(5-3-10)16(21)19-24/h2-8,23-24H,9H2,1H3,(H,19,21)/b18-15-
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n/an/a 500n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222233
PNG
(4-((5-Bromo-3-(hydroxyimino)-2-oxoindolin-1-yl)met...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C16H12BrN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 540n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222234
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-5-methyl-2-oxoindol...)
Show SMILES Cc1ccc2N(Cc3ccc(cc3)C(=O)NO)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C17H15N3O4/c1-10-2-7-14-13(8-10)15(18-23)17(22)20(14)9-11-3-5-12(6-4-11)16(21)19-24/h2-8,23-24H,9H2,1H3,(H,19,21)/b18-15-
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Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222237
PNG
(N-hydroxy-4-((3-(hydroxyimino)-5-nitro-2-oxoindoli...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N4O6/c21-15(18-24)10-3-1-9(2-4-10)8-19-13-6-5-11(20(25)26)7-12(13)14(17-23)16(19)22/h1-7,23-24H,8H2,(H,18,21)/b17-14-
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n/an/a 700n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222227
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-5-methyl-2-oxoi...)
Show SMILES Cc1ccc2N(Cc3cn(Cc4ccc(cc4)C(=O)NO)nn3)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C20H18N6O4/c1-12-2-7-17-16(8-12)18(22-29)20(28)26(17)11-15-10-25(24-21-15)9-13-3-5-14(6-4-13)19(27)23-30/h2-8,10,29-30H,9,11H2,1H3,(H,23,27)/b22-18-
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n/an/a 800n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222226
PNG
(4-((4-((5-Bromo-3-(hydroxyimino)-2-oxoindolin-1-yl...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(Br)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15BrN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 910n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222231
PNG
(4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C16H12FN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 940n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370343
PNG
(CHEMBL1790802)
Show SMILES CC[C@@H](C)[C@H](NC(=O)CC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(O)=O
Show InChI InChI=1S/C25H35N4O12P/c1-3-13(2)21(25(36)37)29-19(30)10-8-16-23(34)28-18(12-14-4-6-15(7-5-14)41-42(38,39)40)24(35)27-17(22(33)26-16)9-11-20(31)32/h4-7,13,16-18,21H,3,8-12H2,1-2H3,(H,26,33)(H,27,35)(H,28,34)(H,29,30)(H,31,32)(H,36,37)(H2,38,39,40)/t13-,16+,17+,18+,21+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222232
PNG
(4-((5-Chloro-3-(hydroxyimino)-2-oxoindolin-1-yl)me...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C16H12ClN3O4/c17-11-5-6-13-12(7-11)14(18-23)16(22)20(13)8-9-1-3-10(4-2-9)15(21)19-24/h1-7,23-24H,8H2,(H,19,21)/b18-14-
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n/an/a 1.16E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222223
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-2-oxoindolin-1-...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4ccccc34)nn2)cc1
Show InChI InChI=1S/C19H16N6O4/c26-18(22-29)13-7-5-12(6-8-13)9-24-10-14(20-23-24)11-25-16-4-2-1-3-15(16)17(21-28)19(25)27/h1-8,10,28-29H,9,11H2,(H,22,26)/b21-17-
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n/an/a 1.17E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370348
PNG
(CHEMBL1790811)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(O)=O
Show InChI InChI=1S/C25H35N4O12P/c1-3-13(2)21(25(36)37)29-23(34)16(9-11-20(31)32)26-19(30)10-8-17-22(33)28-18(24(35)27-17)12-14-4-6-15(7-5-14)41-42(38,39)40/h4-7,13,16-18,21H,3,8-12H2,1-2H3,(H,26,30)(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)(H2,38,39,40)/t13-,16+,17+,18+,21+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222225
PNG
(4-((4-((5-Chloro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(Cl)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15ClN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 1.29E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222224
PNG
(4-((4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cc(F)ccc34)nn2)cc1
Show InChI InChI=1S/C19H15FN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-17-
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n/an/a 1.36E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370341
PNG
(CHEMBL1790810)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(O)=O
Show InChI InChI=1S/C24H33N4O12P/c1-3-12(2)20(24(35)36)28-18(29)11-17-23(34)26-16(10-13-4-6-14(7-5-13)40-41(37,38)39)22(33)25-15(21(32)27-17)8-9-19(30)31/h4-7,12,15-17,20H,3,8-11H2,1-2H3,(H,25,33)(H,26,34)(H,27,32)(H,28,29)(H,30,31)(H,35,36)(H2,37,38,39)/t12-,15+,16+,17+,20+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222228
PNG
(N-Hydroxy-4-((4-((3-(hydroxyimino)-5-methoxy-2-oxo...)
Show SMILES COc1ccc2N(Cc3cn(Cc4ccc(cc4)C(=O)NO)nn3)C(=O)\C(=N/O)c2c1
Show InChI InChI=1S/C20H18N6O5/c1-31-15-6-7-17-16(8-15)18(22-29)20(28)26(17)11-14-10-25(24-21-14)9-12-2-4-13(5-3-12)19(27)23-30/h2-8,10,29-30H,9,11H2,1H3,(H,23,27)/b22-18-
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n/an/a 1.92E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222229
PNG
(4-((4-((7-Chloro-3-(hydroxyimino)-2-oxoindolin-1-y...)
Show SMILES ONC(=O)c1ccc(Cn2cc(CN3C(=O)\C(=N/O)c4cccc(Cl)c34)nn2)cc1
Show InChI InChI=1S/C19H15ClN6O4/c20-15-3-1-2-14-16(22-29)19(28)26(17(14)15)10-13-9-25(24-21-13)8-11-4-6-12(7-5-11)18(27)23-30/h1-7,9,29-30H,8,10H2,(H,23,27)/b22-16-
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n/an/a 1.94E+3n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370351
PNG
(CHEMBL1790806)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C25H35N4O12P/c1-3-13(2)21(25(36)37)29-23(34)17(9-11-20(31)32)27-22(33)16-8-10-19(30)26-18(24(35)28-16)12-14-4-6-15(7-5-14)41-42(38,39)40/h4-7,13,16-18,21H,3,8-12H2,1-2H3,(H,26,30)(H,27,33)(H,28,35)(H,29,34)(H,31,32)(H,36,37)(H2,38,39,40)/t13-,16+,17+,18+,21+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370352
PNG
(CHEMBL1790807)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C25H35N4O12P/c1-3-13(2)21(25(36)37)29-23(34)16-8-10-19(30)26-18(12-14-4-6-15(7-5-14)41-42(38,39)40)24(35)28-17(22(33)27-16)9-11-20(31)32/h4-7,13,16-18,21H,3,8-12H2,1-2H3,(H,26,30)(H,27,33)(H,28,35)(H,29,34)(H,31,32)(H,36,37)(H2,38,39,40)/t13-,16+,17+,18+,21+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50074242
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-25(38)19(10-12-22(35)36)29-24(37)18(9-11-21(33)34)30-26(39)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,40,41)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370347
PNG
(CHEMBL1790814)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(O)=O
Show InChI InChI=1S/C24H33N4O12P/c1-3-12(2)20(24(35)36)28-21(32)15(8-9-19(30)31)25-18(29)11-17-23(34)26-16(22(33)27-17)10-13-4-6-14(7-5-13)40-41(37,38)39/h4-7,12,15-17,20H,3,8-11H2,1-2H3,(H,25,29)(H,26,34)(H,27,33)(H,28,32)(H,30,31)(H,35,36)(H2,37,38,39)/t12-,15+,16+,17+,20+/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148012
PNG
((S)-2-(3-{(S)-2-[2-((S)-Acetylamino)-3-(4-phosphon...)
Show SMILES CC(C)[C@H](NC(=O)C[C@@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C26H37N4O14P/c1-13(2)23(26(39)40)30-20(32)11-16(12-22(35)36)28-24(37)18(8-9-21(33)34)29-25(38)19(27-14(3)31)10-15-4-6-17(7-5-15)44-45(41,42)43/h4-7,13,16,18-19,23H,8-12H2,1-3H3,(H,27,31)(H,28,37)(H,29,38)(H,30,32)(H,33,34)(H,35,36)(H,39,40)(H2,41,42,43)/t16-,18-,19-,23-/m0/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM222230
PNG
(N-Hydroxy-4-((3-(hydroxyimino)-2-oxoindolin-1-yl)m...)
Show SMILES ONC(=O)c1ccc(CN2C(=O)\C(=N/O)c3ccccc23)cc1
Show InChI InChI=1S/C16H13N3O4/c20-15(18-23)11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(17-22)16(19)21/h1-8,22-23H,9H2,(H,18,20)/b17-14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Hanoi University of Pharmacy



Assay Description
The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer's instructions. Briefly,...


Bioorg Chem 71: 160-169 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.002
BindingDB Entry DOI: 10.7270/Q2TH8KJG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148022
PNG
(4-{(S)-2-[2-((R)-Acetylamino)-3-(4-phosphonooxy-ph...)
Show SMILES CC(C)[C@H](NC(=O)C[C@@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N4O14P/c1-12(2)20(24(36)37)28-18(31)11-15(6-9-19(32)33)27-23(35)21(25(38)39)29-22(34)17(26-13(3)30)10-14-4-7-16(8-5-14)43-44(40,41)42/h4-5,7-8,12,15,17,20-21H,6,9-11H2,1-3H3,(H,26,30)(H,27,35)(H,28,31)(H,29,34)(H,32,33)(H,36,37)(H,38,39)(H2,40,41,42)/t15-,17+,20+,21-/m1/s1
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n/an/a 3.46E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370354
PNG
(CHEMBL1790805)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-24(36)18(10-12-22(34)35)29-21(33)11-9-19(26(38)39)30-25(37)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,33)(H,30,37)(H,31,36)(H,34,35)(H,38,39)(H,40,41)(H2,42,43,44)/t14-,18+,19+,20+,23+/m1/s1
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n/an/a 6.95E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370353
PNG
(CHEMBL1790809)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H37N4O14P/c1-4-13(2)22(26(39)40)30-23(35)17(9-10-21(33)34)28-20(32)12-19(25(37)38)29-24(36)18(27-14(3)31)11-15-5-7-16(8-6-15)44-45(41,42)43/h5-8,13,17-19,22H,4,9-12H2,1-3H3,(H,27,31)(H,28,32)(H,29,36)(H,30,35)(H,33,34)(H,37,38)(H,39,40)(H2,41,42,43)/t13-,17+,18+,19+,22+/m1/s1
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n/an/a 7.54E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148024
PNG
((S)-2-((S)-3-{(S)-2-[2-Amino-3-(4-phosphonooxy-phe...)
Show SMILES CC(C)[C@H](NC(=O)C[C@@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C24H35N4O13P/c1-12(2)21(24(36)37)28-18(29)10-14(11-20(32)33)26-23(35)17(7-8-19(30)31)27-22(34)16(25)9-13-3-5-15(6-4-13)41-42(38,39)40/h3-6,12,14,16-17,21H,7-11,25H2,1-2H3,(H,26,35)(H,27,34)(H,28,29)(H,30,31)(H,32,33)(H,36,37)(H2,38,39,40)/t14-,16-,17-,21-/m0/s1
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n/an/a 7.63E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370349
PNG
(CHEMBL1790804)
Show SMILES CC[C@@H](C)[C@H](NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-21(33)11-9-19(26(38)39)30-24(36)18(10-12-22(34)35)29-25(37)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,36)(H,31,33)(H,34,35)(H,38,39)(H,40,41)(H2,42,43,44)/t14-,18+,19+,20+,23+/m1/s1
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n/an/a 8.07E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148020
PNG
((R)-4-{(S)-2-[2-Amino-3-(4-phosphonooxy-phenyl)-pr...)
Show SMILES CC(C)[C@H](NC(=O)C[C@@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H33N4O13P/c1-11(2)18(22(33)34)26-16(28)10-13(5-8-17(29)30)25-21(32)19(23(35)36)27-20(31)15(24)9-12-3-6-14(7-4-12)40-41(37,38)39/h3-4,6-7,11,13,15,18-19H,5,8-10,24H2,1-2H3,(H,25,32)(H,26,28)(H,27,31)(H,29,30)(H,33,34)(H,35,36)(H2,37,38,39)/t13-,15+,18+,19-/m1/s1
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n/an/a 8.32E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370344
PNG
(CHEMBL1790815)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H37N4O14P/c1-4-13(2)22(26(39)40)30-20(32)12-19(25(37)38)29-23(35)17(9-10-21(33)34)28-24(36)18(27-14(3)31)11-15-5-7-16(8-6-15)44-45(41,42)43/h5-8,13,17-19,22H,4,9-12H2,1-3H3,(H,27,31)(H,28,36)(H,29,35)(H,30,32)(H,33,34)(H,37,38)(H,39,40)(H2,41,42,43)/t13-,17+,18+,19+,22+/m1/s1
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n/an/a 9.07E+4n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370342
PNG
(CHEMBL1790817)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H35N4O13P/c1-3-12(2)20(24(36)37)28-22(33)16(8-9-19(30)31)26-18(29)11-17(23(34)35)27-21(32)15(25)10-13-4-6-14(7-5-13)41-42(38,39)40/h4-7,12,15-17,20H,3,8-11,25H2,1-2H3,(H,26,29)(H,27,32)(H,28,33)(H,30,31)(H,34,35)(H,36,37)(H2,38,39,40)/t12-,15+,16+,17+,20+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50174138
PNG
((S)-4-[(S)-2-((1S,4S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H36N4O9/c1-3-14(2)21(26)24(36)28-17(10-12-20(32)33)22(34)27-16(9-11-19(30)31)23(35)29-18(25(37)38)13-15-7-5-4-6-8-15/h4-8,14,16-18,21H,3,9-13,26H2,1-2H3,(H,27,34)(H,28,36)(H,29,35)(H,30,31)(H,32,33)(H,37,38)/t14-,16-,17-,18-,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370345
PNG
(CHEMBL1790813)
Show SMILES CC[C@@H](C)[C@H](NC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-19(30)10-8-18(24(35)36)28-23(34)17(9-11-20(31)32)27-22(33)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,31,32)(H,35,36)(H,37,38)(H2,39,40,41)/t13-,16+,17+,18+,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50174134
PNG
((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-Amino-3-phenyl-prop...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H36N4O9/c1-3-14(2)21(25(37)38)29-24(36)18(10-12-20(32)33)28-23(35)17(9-11-19(30)31)27-22(34)16(26)13-15-7-5-4-6-8-15/h4-8,14,16-18,21H,3,9-13,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)/t14-,16-,17-,18-,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370350
PNG
(CHEMBL1790816)
Show SMILES CC[C@@H](C)[C@H](NC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H35N4O13P/c1-3-12(2)20(24(36)37)28-18(29)11-17(23(34)35)27-22(33)16(8-9-19(30)31)26-21(32)15(25)10-13-4-6-14(7-5-13)41-42(38,39)40/h4-7,12,15-17,20H,3,8-11,25H2,1-2H3,(H,26,32)(H,27,33)(H,28,29)(H,30,31)(H,34,35)(H,36,37)(H2,38,39,40)/t12-,15+,16+,17+,20+/m1/s1
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University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370346
PNG
(CHEMBL1790812)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-23(34)17(9-11-20(31)32)27-19(30)10-8-18(24(35)36)28-22(33)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,30)(H,28,33)(H,29,34)(H,31,32)(H,35,36)(H,37,38)(H2,39,40,41)/t13-,16+,17+,18+,21+/m1/s1
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University of Rhode Island

Curated by ChEMBL


Assay Description
Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%


J Med Chem 47: 3131-41 (2004)


Article DOI: 10.1021/jm040008+
BindingDB Entry DOI: 10.7270/Q25B0370
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50174137
PNG
((S)-4-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(26)24(36)28-17(9-11-20(32)33)22(34)27-16(8-10-19(30)31)23(35)29-18(25(37)38)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,36)(H,29,35)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50174136
PNG
((S)-4-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylam...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H36N4O10/c1-3-13(2)21(26)24(37)28-17(9-11-20(33)34)22(35)27-16(8-10-19(31)32)23(36)29-18(25(38)39)12-14-4-6-15(30)7-5-14/h4-7,13,16-18,21,30H,3,8-12,26H2,1-2H3,(H,27,35)(H,28,37)(H,29,36)(H,31,32)(H,33,34)(H,38,39)/t13-,16-,17-,18-,21-/m0/s1
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University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50174135
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H36N4O10/c1-3-13(2)21(25(38)39)29-24(37)18(9-11-20(33)34)28-23(36)17(8-10-19(31)32)27-22(35)16(26)12-14-4-6-15(30)7-5-14/h4-7,13,16-18,21,30H,3,8-12,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,31,32)(H,33,34)(H,38,39)/t13-,16-,17-,18-,21-/m0/s1
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University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src protein tryrosine kinase SH2 domain


Bioorg Med Chem Lett 15: 4994-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.005
BindingDB Entry DOI: 10.7270/Q2W37VWC
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447860
PNG
(CHEMBL3114757)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4cc(O)ccc34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29+/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447857
PNG
(AESCULTITANNIN B | Aescultitannin B)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447858
PNG
(CHEBI:75630 | CHEMBL501490)
Show SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
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n/an/a 4.30E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447859
PNG
(CHEMBL3114756)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1
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n/an/a 4.80E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447856
PNG
(CHEMBL3114755)
Show SMILES O[C@H]1Cc2c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H26O11/c31-14-3-4-15-23(9-14)41-30(13-2-6-18(33)20(35)8-13)28(39)25(15)26-21(36)11-24-16(27(26)38)10-22(37)29(40-24)12-1-5-17(32)19(34)7-12/h1-9,11,22,25,28-39H,10H2/t22-,25-,28-,29+,30+/m0/s1
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n/an/a 5.20E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447854
PNG
(CHEMBL3114753 | CHEMBL3114754)
Show SMILES CC(CC=C1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/t11?,14-,15-,16+,17-,18-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50447854
PNG
(CHEMBL3114753 | CHEMBL3114754)
Show SMILES CC(CC=C1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/t11?,14-,15-,16+,17-,18-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
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