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Compile Data Set for Download or QSAR

Found 15 hits from Ankara University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM243041
PNG
(A-419259)
Show SMILES CN1CCN(CC1)[C@H]1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23?
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n/an/a 0.300n/an/an/an/an/a22



Ankara University



Assay Description
Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...


J Enzyme Inhib Med Chem 28: 1080-7 (2013)


Article DOI: 10.3109/14756366.2012.715288
BindingDB Entry DOI: 10.7270/Q2KD1WTX
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50413999
PNG
(CGP77675 | CHEMBL475584)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN3CCC(O)CC3)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C26H29N5O2/c1-33-22-4-2-3-19(15-22)23-16-31(26-24(23)25(27)28-17-29-26)20-7-5-18(6-8-20)9-12-30-13-10-21(32)11-14-30/h2-8,15-17,21,32H,9-14H2,1H3,(H2,27,28,29)
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n/an/a 0.400n/an/an/an/an/a22



Ankara University



Assay Description
Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...


J Enzyme Inhib Med Chem 28: 1080-7 (2013)


Article DOI: 10.3109/14756366.2012.715288
BindingDB Entry DOI: 10.7270/Q2KD1WTX
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/a 0.5n/an/an/an/an/a22



Ankara University



Assay Description
Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...


J Enzyme Inhib Med Chem 28: 1080-7 (2013)


Article DOI: 10.3109/14756366.2012.715288
BindingDB Entry DOI: 10.7270/Q2KD1WTX
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266594
PNG
(CHEMBL476198 | {2,4-Dioxo-5-[(6-nitro-4-oxo-4H-chr...)
Show SMILES OC(=O)CN1C(=O)S\C(=C\c2coc3ccc(cc3c2=O)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C15H8N2O8S/c18-12(19)5-16-14(21)11(26-15(16)22)3-7-6-25-10-2-1-8(17(23)24)4-9(10)13(7)20/h1-4,6H,5H2,(H,18,19)/b11-3+
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n/an/a 261n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50292596
PNG
(CHEMBL522150 | {2,4-Dioxo-5-[3-(4-oxo-4H-chromen-2...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cccc(c2)-c2cc(=O)c3ccccc3o2)C1=O
Show InChI InChI=1S/C21H13NO6S/c23-15-10-17(28-16-7-2-1-6-14(15)16)13-5-3-4-12(8-13)9-18-20(26)22(11-19(24)25)21(27)29-18/h1-10H,11H2,(H,24,25)/b18-9-
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n/an/a 415n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldose reductase activity assessed as NADPH oxidation


Bioorg Med Chem 16: 6747-51 (2008)


Article DOI: 10.1016/j.bmc.2008.05.059
BindingDB Entry DOI: 10.7270/Q2HT2P4C
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50292598
PNG
(5-((4-(4-oxo-4H-chromen-2-yl)phenyl)methylene)thia...)
Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C19H11NO4S/c21-14-10-16(24-15-4-2-1-3-13(14)15)12-7-5-11(6-8-12)9-17-18(22)20-19(23)25-17/h1-10H,(H,20,22,23)/b17-9-
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n/an/a 432n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldose reductase activity assessed as NADPH oxidation


Bioorg Med Chem 16: 6747-51 (2008)


Article DOI: 10.1016/j.bmc.2008.05.059
BindingDB Entry DOI: 10.7270/Q2HT2P4C
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266593
PNG
(CHEMBL477019 | {2,4-Dioxo-5-[(6-isopropyl-4-oxo-4H...)
Show SMILES CC(C)c1ccc2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
Show InChI InChI=1S/C18H15NO6S/c1-9(2)10-3-4-13-12(5-10)16(22)11(8-25-13)6-14-17(23)19(7-15(20)21)18(24)26-14/h3-6,8-9H,7H2,1-2H3,(H,20,21)/b14-6+
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n/an/a 522n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266592
PNG
(CHEMBL513901 | {2,4-Dioxo-5-[(6,8-dimethyl-4-oxo-4...)
Show SMILES Cc1cc(C)c2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
Show InChI InChI=1S/C17H13NO6S/c1-8-3-9(2)15-11(4-8)14(21)10(7-24-15)5-12-16(22)18(6-13(19)20)17(23)25-12/h3-5,7H,6H2,1-2H3,(H,19,20)/b12-5+
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n/an/a 678n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50292597
PNG
(5-((4-oxo-2-phenyl-4H-chromen-6-yl)methylene)thiaz...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H11NO4S/c21-14-10-16(12-4-2-1-3-5-12)24-15-7-6-11(8-13(14)15)9-17-18(22)20-19(23)25-17/h1-10H,(H,20,22,23)
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n/an/a 683n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldose reductase activity assessed as NADPH oxidation


Bioorg Med Chem 16: 6747-51 (2008)


Article DOI: 10.1016/j.bmc.2008.05.059
BindingDB Entry DOI: 10.7270/Q2HT2P4C
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266591
PNG
(CHEMBL476816 | {2,4-Dioxo-5-[(6-methyl-4-oxo-4H-ch...)
Show SMILES Cc1ccc2occ(\C=C3\SC(=O)N(CC(O)=O)C3=O)c(=O)c2c1
Show InChI InChI=1S/C16H11NO6S/c1-8-2-3-11-10(4-8)14(20)9(7-23-11)5-12-15(21)17(6-13(18)19)16(22)24-12/h2-5,7H,6H2,1H3,(H,18,19)/b12-5+
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n/an/a 805n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50292599
PNG
(CHEMBL494490 | {2,4-Dioxo-5-[(4-oxo-2-phenyl-4H-ch...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3oc(cc(=O)c3c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H13NO6S/c23-15-10-17(13-4-2-1-3-5-13)28-16-7-6-12(8-14(15)16)9-18-20(26)22(11-19(24)25)21(27)29-18/h1-10H,11H2,(H,24,25)/b18-9-
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n/an/a 852n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldose reductase activity assessed as NADPH oxidation


Bioorg Med Chem 16: 6747-51 (2008)


Article DOI: 10.1016/j.bmc.2008.05.059
BindingDB Entry DOI: 10.7270/Q2HT2P4C
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266546
PNG
(5-[(6-Methyl-4-oxo-4H-chromen-3-yl)methylene]thiaz...)
Show SMILES Cc1ccc2occ(C=C3SC(O)=NC3=O)c(=O)c2c1
Show InChI InChI=1S/C14H9NO4S/c1-7-2-3-10-9(4-7)12(16)8(6-19-10)5-11-13(17)15-14(18)20-11/h2-6H,1H3,(H,15,17,18)
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n/an/a 944n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50266547
PNG
(5-[(6-Isopropyl-4-oxo-4H-chromen-3-yl)methylene]th...)
Show SMILES CC(C)c1ccc2occ(C=C3SC(O)=NC3=O)c(=O)c2c1
Show InChI InChI=1S/C16H13NO4S/c1-8(2)9-3-4-12-11(5-9)14(18)10(7-21-12)6-13-15(19)17-16(20)22-13/h3-8H,1-2H3,(H,17,19,20)
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n/an/a 955n/an/an/an/an/an/a



Ankara University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically


Eur J Med Chem 43: 2412-7 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.004
BindingDB Entry DOI: 10.7270/Q2CZ36XD
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM243040
PNG
(N-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyr...)
Show SMILES Cc1ccc(s1)C(=O)NCc1c[nH]c2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C13H13N5O2S/c1-6-2-3-8(21-6)11(19)16-5-7-4-15-10-9(7)12(20)18-13(14)17-10/h2-4H,5H2,1H3,(H,16,19)(H4,14,15,17,18,20)
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n/an/a 1.60E+4n/an/an/an/an/a22



Ankara University



Assay Description
Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...


J Enzyme Inhib Med Chem 28: 1080-7 (2013)


Article DOI: 10.3109/14756366.2012.715288
BindingDB Entry DOI: 10.7270/Q2KD1WTX
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM243039
PNG
(N-((2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1ccc(CCCC(=O)NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1OC
Show InChI InChI=1S/C19H23N5O4/c1-27-13-7-6-11(8-14(13)28-2)4-3-5-15(25)21-9-12-10-22-17-16(12)18(26)24-19(20)23-17/h6-8,10H,3-5,9H2,1-2H3,(H,21,25)(H4,20,22,23,24,26)
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n/an/a 2.10E+4n/an/an/an/an/a22



Ankara University



Assay Description
Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...


J Enzyme Inhib Med Chem 28: 1080-7 (2013)


Article DOI: 10.3109/14756366.2012.715288
BindingDB Entry DOI: 10.7270/Q2KD1WTX
More data for this
Ligand-Target Pair