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Compile Data Set for Download or QSAR

Found 63 hits from Birla Institute of Technology and Science   
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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50174551
PNG
(CHEMBL3809172)
Show SMILES Oc1ccc2c(\C=C3/NC(=NC3=O)C(=O)c3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C21H14N4O3/c26-12-5-6-13-11(9-22-17(13)8-12)7-18-21(28)25-20(24-18)19(27)15-10-23-16-4-2-1-3-14(15)16/h1-10,22-23,26H,(H,24,25,28)/b18-7-
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n/an/a 7.40n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-erbB2 (unknown origin)


Bioorg Med Chem Lett 26: 3167-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.080
BindingDB Entry DOI: 10.7270/Q2B27X6X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50174551
PNG
(CHEMBL3809172)
Show SMILES Oc1ccc2c(\C=C3/NC(=NC3=O)C(=O)c3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C21H14N4O3/c26-12-5-6-13-11(9-22-17(13)8-12)7-18-21(28)25-20(24-18)19(27)15-10-23-16-4-2-1-3-14(15)16/h1-10,22-23,26H,(H,24,25,28)/b18-7-
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n/an/a 13n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Bioorg Med Chem Lett 26: 3167-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.080
BindingDB Entry DOI: 10.7270/Q2B27X6X
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase 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 500n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381101
PNG
(CHEMBL2017561)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C36H36N4O7/c1-35(2)17-27-33(29(41)19-35)32(24-12-8-9-13-31(24)47-21-22-10-6-5-7-11-22)34-28(18-36(3,4)20-30(34)42)38(27)37-25-15-14-23(39(43)44)16-26(25)40(45)46/h5-16,32,37H,17-21H2,1-4H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381098
PNG
(CHEMBL2017558)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C36H38N2O3/c1-35(2)19-27-33(29(39)21-35)32(26-17-11-12-18-31(26)41-23-24-13-7-5-8-14-24)34-28(20-36(3,4)22-30(34)40)38(27)37-25-15-9-6-10-16-25/h5-18,32,37H,19-23H2,1-4H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381104
PNG
(CHEMBL2017706)
Show SMILES COc1ccc(C(=O)NN2C3=C(C(C4=C2CC(C)(C)CC4=O)c2ccc(OCc4ccccc4)cc2)C(=O)CC(C)(C)C3)c(OC)n1
Show InChI InChI=1S/C38H41N3O6/c1-37(2)18-27-33(29(42)20-37)32(24-12-14-25(15-13-24)47-22-23-10-8-7-9-11-23)34-28(19-38(3,4)21-30(34)43)41(27)40-35(44)26-16-17-31(45-5)39-36(26)46-6/h7-17,32H,18-22H2,1-6H3,(H,40,44)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360661
PNG
(CHEMBL1933756)
Show SMILES COc1ccc(cc1)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H30N2O2/c1-25(2,3)18-9-7-17(8-10-18)24-23-21(15-26(4,5)16-22(23)29)27-28(24)19-11-13-20(30-6)14-12-19/h7-14H,15-16H2,1-6H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381099
PNG
(CHEMBL2017559)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2cccc(OCc3ccccc3)c2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C36H38N2O3/c1-35(2)19-28-33(30(39)21-35)32(25-14-11-17-27(18-25)41-23-24-12-7-5-8-13-24)34-29(20-36(3,4)22-31(34)40)38(28)37-26-15-9-6-10-16-26/h5-18,32,37H,19-23H2,1-4H3
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n/an/a 4.01E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381100
PNG
(CHEMBL2017560)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C36H38N2O3/c1-35(2)19-28-33(30(39)21-35)32(25-15-17-27(18-16-25)41-23-24-11-7-5-8-12-24)34-29(20-36(3,4)22-31(34)40)38(28)37-26-13-9-6-10-14-26/h5-18,32,37H,19-23H2,1-4H3
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n/an/a 4.31E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381102
PNG
(CHEMBL2017694)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C36H36N4O7/c1-35(2)17-28-33(30(41)19-35)32(23-10-13-25(14-11-23)47-21-22-8-6-5-7-9-22)34-29(18-36(3,4)20-31(34)42)38(28)37-26-15-12-24(39(43)44)16-27(26)40(45)46/h5-16,32,37H,17-21H2,1-4H3
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n/an/a 4.33E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50381103
PNG
(CHEMBL2017697)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C37H38N2O4/c1-36(2)19-28-33(30(40)21-36)32(25-15-17-27(18-16-25)43-23-24-11-7-5-8-12-24)34-29(20-37(3,4)22-31(34)41)39(28)38-35(42)26-13-9-6-10-14-26/h5-18,32H,19-23H2,1-4H3,(H,38,42)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 using Fluor-de-Lys as substrate


Bioorg Med Chem Lett 22: 3256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.030
BindingDB Entry DOI: 10.7270/Q26Q1Z88
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360642
PNG
(CHEMBL1933738)
Show SMILES CC1(C)Cc2nn(c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H17Cl3N2O/c1-21(2)10-17-19(18(27)11-21)20(12-6-7-15(23)16(24)8-12)26(25-17)14-5-3-4-13(22)9-14/h3-9H,10-11H2,1-2H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360660
PNG
(CHEMBL1933755)
Show SMILES Cc1ccc(cc1)-n1nc2CCCC(=O)c2c1C1CCCCC1
Show InChI InChI=1S/C20H24N2O/c1-14-10-12-16(13-11-14)22-20(15-6-3-2-4-7-15)19-17(21-22)8-5-9-18(19)23/h10-13,15H,2-9H2,1H3
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n/an/a 5.77E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360659
PNG
(CHEMBL1933754)
Show SMILES Clc1cccc(c1)-n1nc2CCCC(=O)c2c1C1CCCCC1
Show InChI InChI=1S/C19H21ClN2O/c20-14-8-4-9-15(12-14)22-19(13-6-2-1-3-7-13)18-16(21-22)10-5-11-17(18)23/h4,8-9,12-13H,1-3,5-7,10-11H2
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n/an/a 5.84E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360641
PNG
(CHEMBL1933737)
Show SMILES CC1(C)Cc2nn(c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C21H18Cl2N2O/c1-21(2)11-17-19(18(26)12-21)20(13-8-9-15(22)16(23)10-13)25(24-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
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n/an/a 6.21E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360648
PNG
(CHEMBL1933743)
Show SMILES Clc1ccc(cc1Cl)-c1c2c(CCCC2=O)nn1-c1ccccc1
Show InChI InChI=1S/C19H14Cl2N2O/c20-14-10-9-12(11-15(14)21)19-18-16(7-4-8-17(18)24)22-23(19)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2
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n/an/a 6.58E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360638
PNG
(CHEMBL1933734)
Show SMILES CC1(C)Cc2nn(c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H18Cl2N2O2/c1-21(2)10-17-19(18(27)11-21)20(12-3-8-15(22)16(23)9-12)25(24-17)13-4-6-14(26)7-5-13/h3-9,26H,10-11H2,1-2H3
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n/an/a 6.66E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360654
PNG
(CHEMBL1933749)
Show SMILES Cc1ccc(cc1Cl)-c1c2c(CC(C)(C)CC2=O)nn1-c1ccncc1
Show InChI InChI=1S/C21H20ClN3O/c1-13-4-5-14(10-16(13)22)20-19-17(11-21(2,3)12-18(19)26)24-25(20)15-6-8-23-9-7-15/h4-10H,11-12H2,1-3H3
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n/an/a 7.43E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360656
PNG
(CHEMBL1933751)
Show SMILES CC1(C)Cc2nn(-c3cccs3)c(C3CCCCC3)c2C(=O)C1
Show InChI InChI=1S/C19H24N2OS/c1-19(2)11-14-17(15(22)12-19)18(13-7-4-3-5-8-13)21(20-14)16-9-6-10-23-16/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
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n/an/a 7.73E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360643
PNG
(CHEMBL1933074)
Show SMILES Clc1ccc(cc1)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H13Cl3N2O/c20-12-5-7-13(8-6-12)24-19(11-4-9-14(21)15(22)10-11)18-16(23-24)2-1-3-17(18)25/h4-10H,1-3H2
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n/an/a 8.10E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360652
PNG
(CHEMBL1933747)
Show SMILES COc1cccc(c1)-n1nc2CCCC(=O)c2c1-c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C21H19ClN2O2/c1-13-9-10-14(11-17(13)22)21-20-18(7-4-8-19(20)25)23-24(21)15-5-3-6-16(12-15)26-2/h3,5-6,9-12H,4,7-8H2,1-2H3
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n/an/a 8.27E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360633
PNG
(CHEMBL1933729)
Show SMILES CC1(C)Cc2nn(c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17Cl3N2O/c1-21(2)10-17-19(18(27)11-21)20(12-3-8-15(23)16(24)9-12)26(25-17)14-6-4-13(22)5-7-14/h3-9H,10-11H2,1-2H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360640
PNG
(CHEMBL1933736)
Show SMILES COc1ccc(cc1)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N2O2/c1-22(2)11-18-20(19(27)12-22)21(13-4-9-16(23)17(24)10-13)26(25-18)14-5-7-15(28-3)8-6-14/h4-10H,11-12H2,1-3H3
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n/an/a 9.41E+4n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360653
PNG
(CHEMBL1933748)
Show SMILES Cc1ccc(cc1Cl)-c1c2c(CC(C)(C)CC2=O)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N2O/c1-13-4-5-14(10-17(13)24)21-20-18(11-22(2,3)12-19(20)27)25-26(21)16-8-6-15(23)7-9-16/h4-10H,11-12H2,1-3H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360665
PNG
(CHEMBL1933760)
Show SMILES Cc1ccc(cc1)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H30N2O/c1-17-7-13-20(14-8-17)28-24(18-9-11-19(12-10-18)25(2,3)4)23-21(27-28)15-26(5,6)16-22(23)29/h7-14H,15-16H2,1-6H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360664
PNG
(CHEMBL1933759)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c2c(OC(C)(C)OC2=O)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O3/c1-22(2,3)15-8-6-14(7-9-15)19-18-20(28-23(4,5)29-21(18)27)25-26(19)17-12-10-16(24)11-13-17/h6-13H,1-5H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360663
PNG
(CHEMBL1933758)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c2c(CC(C)(C)CC2=O)nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O/c1-24(2,3)17-8-6-16(7-9-17)23-22-20(14-25(4,5)15-21(22)29)27-28(23)19-12-10-18(26)11-13-19/h6-13H,14-15H2,1-5H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360658
PNG
(CHEMBL1933753)
Show SMILES CC1(C)Oc2nn(c(C3CCCCC3)c2C(=O)O1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O3/c1-19(2)24-17-15(18(23)25-19)16(12-6-4-3-5-7-12)22(21-17)14-10-8-13(20)9-11-14/h8-12H,3-7H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360657
PNG
(CHEMBL1933752)
Show SMILES CC1(C)Cc2nn(c(C3CCCCC3)c2C(=O)C1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H25N3O3/c1-21(2)12-17-19(18(25)13-21)20(14-6-4-3-5-7-14)23(22-17)15-8-10-16(11-9-15)24(26)27/h8-11,14H,3-7,12-13H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360655
PNG
(CHEMBL1933750)
Show SMILES Cc1ccc(cc1Cl)-c1c2c(CC(C)(C)CC2=O)nn1-c1ccc[nH]1
Show InChI InChI=1S/C20H20ClN3O/c1-12-6-7-13(9-14(12)21)19-18-15(10-20(2,3)11-16(18)25)23-24(19)17-5-4-8-22-17/h4-9,22H,10-11H2,1-3H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360651
PNG
(CHEMBL1933746)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H13Cl2N3O3/c20-14-9-4-11(10-15(14)21)19-18-16(2-1-3-17(18)25)22-23(19)12-5-7-13(8-6-12)24(26)27/h4-10H,1-3H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360650
PNG
(CHEMBL1933745)
Show SMILES COc1ccc(cc1O)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O3/c1-27-18-8-6-12(10-17(18)26)24-20(11-5-7-13(21)14(22)9-11)19-15(23-24)3-2-4-16(19)25/h5-10,26H,2-4H2,1H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360649
PNG
(CHEMBL1933744)
Show SMILES Oc1ccc(cc1)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N2O2/c20-14-9-4-11(10-15(14)21)19-18-16(2-1-3-17(18)25)22-23(19)12-5-7-13(24)8-6-12/h4-10,24H,1-3H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360647
PNG
(CHEMBL1933742)
Show SMILES COc1ccc(cc1)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O2/c1-26-14-8-6-13(7-9-14)24-20(12-5-10-15(21)16(22)11-12)19-17(23-24)3-2-4-18(19)25/h5-11H,2-4H2,1H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360646
PNG
(CHEMBL1933741)
Show SMILES Fc1ccccc1-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H13Cl2FN2O/c20-12-9-8-11(10-13(12)21)19-18-15(5-3-7-17(18)25)23-24(19)16-6-2-1-4-14(16)22/h1-2,4,6,8-10H,3,5,7H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360645
PNG
(CHEMBL1933740)
Show SMILES Cc1ccc(cc1)-n1nc2CCCC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O/c1-12-5-8-14(9-6-12)24-20(13-7-10-15(21)16(22)11-13)19-17(23-24)3-2-4-18(19)25/h5-11H,2-4H2,1H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360644
PNG
(CHEMBL1933739)
Show SMILES Clc1ccc(cc1Cl)-c1c2c(CCCC2=O)nn1-c1cccs1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-11-7-6-10(9-12(11)19)17-16-13(3-1-4-14(16)22)20-21(17)15-5-2-8-23-15/h2,5-9H,1,3-4H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360639
PNG
(CHEMBL1933735)
Show SMILES CC1(C)Cc2nn(-c3ccc[nH]3)c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O/c1-19(2)9-14-17(15(25)10-19)18(11-5-6-12(20)13(21)8-11)24(23-14)16-4-3-7-22-16/h3-8,22H,9-10H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360637
PNG
(CHEMBL1933733)
Show SMILES COc1ccc(cc1O)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N2O3/c1-22(2)10-16-20(18(28)11-22)21(12-4-6-14(23)15(24)8-12)26(25-16)13-5-7-19(29-3)17(27)9-13/h4-9,27H,10-11H2,1-3H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360636
PNG
(CHEMBL1933732)
Show SMILES Cc1ccc(cc1)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N2O/c1-13-4-7-15(8-5-13)26-21(14-6-9-16(23)17(24)10-14)20-18(25-26)11-22(2,3)12-19(20)27/h4-10H,11-12H2,1-3H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360635
PNG
(CHEMBL1933731)
Show SMILES CC1(C)Cc2nn(-c3cccs3)c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2OS/c1-19(2)9-14-17(15(24)10-19)18(11-5-6-12(20)13(21)8-11)23(22-14)16-4-3-7-25-16/h3-8H,9-10H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360634
PNG
(CHEMBL1933730)
Show SMILES CC1(C)Cc2nn(c(c2C(=O)C1)-c1ccc(Cl)c(Cl)c1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H17Cl2N3O3/c1-21(2)10-17-19(18(27)11-21)20(12-3-8-15(22)16(23)9-12)25(24-17)13-4-6-14(7-5-13)26(28)29/h3-9H,10-11H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50360662
PNG
(CHEMBL1933757)
Show SMILES COc1ccc(cc1OC)-n1nc2CC(C)(C)CC(=O)c2c1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H32N2O3/c1-26(2,3)18-10-8-17(9-11-18)25-24-20(15-27(4,5)16-21(24)30)28-29(25)19-12-13-22(31-6)23(14-19)32-7/h8-14H,15-16H2,1-7H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 3...


Bioorg Med Chem Lett 22: 410-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.124
BindingDB Entry DOI: 10.7270/Q23X872P
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417134
PNG
(CHEMBL1269779)
Show SMILES O=C(Nc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H11N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h1-10H,(H,17,19)
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n/an/an/a 158n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417150
PNG
(CHEMBL1269120)
Show SMILES O=C(NC1CCCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H17N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,19)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417136
PNG
(CHEMBL1269874)
Show SMILES COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
Show InChI InChI=1S/C16H13N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417137
PNG
(CHEMBL1269048)
Show SMILES O=C(NCc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417138
PNG
(CHEMBL1269049)
Show SMILES O=C(NNc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H12N4O/c20-15(19-18-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h1-10,18H,(H,19,20)
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n/an/an/a 1.58E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
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