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Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'tiwari' and Initial = 'r'   
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
Proto-oncogene 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 300n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene 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 300n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene 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 300n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Proto-oncogene 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
Tyrosine-protein kinase CSK


(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/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene 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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50433806
PNG
(CHEMBL2382016)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r,wU:100.108,111.119,7.6,11.11,25.27,36.38,50.54,86.92,75.81,61.65,(13.76,10.06,;12.41,9.29,;12.41,7.74,;11.08,10.06,;9.74,9.29,;9.74,7.82,;8.46,7.09,;8.46,5.61,;7.19,4.87,;7.19,3.4,;8.46,2.66,;5.91,2.66,;4.63,3.4,;4.63,4.94,;5.88,5.86,;5.4,7.32,;3.86,7.32,;2.83,8.45,;1.32,8.13,;.85,6.67,;1.89,5.54,;3.38,5.86,;5.91,1.19,;4.63,.45,;3.37,1.19,;4.63,-1.02,;3.37,-1.77,;2.08,-1.02,;.81,-1.77,;-.55,-1,;-.55,.55,;-1.89,1.33,;.79,1.33,;5.91,-1.77,;5.9,-3.23,;7.18,-3.98,;4.62,-3.97,;3.35,-3.22,;2,-3.99,;1.83,-5.53,;.32,-5.84,;-.45,-4.5,;-1.95,-4.17,;-2.42,-2.7,;-1.39,-1.56,;.12,-1.89,;.59,-3.36,;4.61,-5.44,;5.89,-6.18,;7.17,-5.45,;5.88,-7.66,;4.6,-8.39,;3.33,-7.64,;1.99,-8.41,;1.98,-9.96,;.64,-10.73,;.64,-12.28,;-.71,-9.95,;7.16,-8.4,;7.15,-9.94,;5.81,-10.71,;8.48,-10.72,;8.48,-12.27,;9.82,-13.04,;9.99,-14.58,;11.5,-14.9,;12.27,-13.56,;13.78,-13.24,;14.26,-11.78,;13.22,-10.63,;11.72,-10.95,;11.24,-12.41,;9.83,-9.95,;9.83,-8.4,;8.49,-7.63,;11.17,-7.63,;12.51,-8.41,;13.85,-7.64,;15.19,-8.42,;16.53,-7.65,;17.87,-8.42,;19.21,-7.65,;17.87,-9.97,;11.18,-6.09,;13.56,-3.23,;14.84,-3.97,;13.56,-1.77,;14.84,-1.02,;16.18,-1.79,;17.59,-1.15,;18.64,-2.3,;17.87,-3.64,;18.34,-5.1,;17.32,-6.25,;15.81,-5.93,;15.33,-4.47,;16.36,-3.32,;12.28,-1.02,;12.28,.45,;11.01,1.19,;13.56,1.19,;14.84,.45,;16.11,1.19,;17.45,.42,;18.8,1.18,;20.13,.41,;21.47,1.17,;20.12,-1.15,;13.56,2.66,;12.28,3.4,;11.01,2.66,;12.28,4.87,;13.56,5.61,;14.9,4.84,;15.07,3.29,;16.58,2.98,;17.35,4.31,;18.86,4.62,;19.34,6.09,;18.3,7.25,;16.8,6.93,;16.33,5.45,;11.01,5.61,;9.74,4.87,;9.74,3.4,)|
Show InChI InChI=1S/C85H110N30O10/c86-81(87)96-31-11-26-61-71(116)111-66(36-46-41-101-56-21-6-1-16-51(46)56)76(121)106-62(27-12-32-97-82(88)89)72(117)112-68(38-48-43-103-58-23-8-3-18-53(48)58)78(123)108-64(29-14-34-99-84(92)93)74(119)114-70(40-50-45-105-60-25-10-5-20-55(50)60)80(125)110-65(30-15-35-100-85(94)95)75(120)115-69(39-49-44-104-59-24-9-4-19-54(49)59)79(124)109-63(28-13-33-98-83(90)91)73(118)113-67(77(122)107-61)37-47-42-102-57-22-7-2-17-52(47)57/h1-10,16-25,41-45,61-70,101-105H,11-15,26-40H2,(H,106,121)(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,116)(H,112,117)(H,113,118)(H,114,119)(H,115,120)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Csk (unknown origin) expressed in Escherichia coli using polyE4Y as substrate after 20 mins by scintillation counting analysi...


Bioorg Med Chem Lett 23: 3230-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.124
BindingDB Entry DOI: 10.7270/Q2JW8G8Z
More data for this
Ligand-Target Pair
Proto-oncogene 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 2.80E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene 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 2.80E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene 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 2.80E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50433806
PNG
(CHEMBL2382016)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r,wU:100.108,111.119,7.6,11.11,25.27,36.38,50.54,86.92,75.81,61.65,(13.76,10.06,;12.41,9.29,;12.41,7.74,;11.08,10.06,;9.74,9.29,;9.74,7.82,;8.46,7.09,;8.46,5.61,;7.19,4.87,;7.19,3.4,;8.46,2.66,;5.91,2.66,;4.63,3.4,;4.63,4.94,;5.88,5.86,;5.4,7.32,;3.86,7.32,;2.83,8.45,;1.32,8.13,;.85,6.67,;1.89,5.54,;3.38,5.86,;5.91,1.19,;4.63,.45,;3.37,1.19,;4.63,-1.02,;3.37,-1.77,;2.08,-1.02,;.81,-1.77,;-.55,-1,;-.55,.55,;-1.89,1.33,;.79,1.33,;5.91,-1.77,;5.9,-3.23,;7.18,-3.98,;4.62,-3.97,;3.35,-3.22,;2,-3.99,;1.83,-5.53,;.32,-5.84,;-.45,-4.5,;-1.95,-4.17,;-2.42,-2.7,;-1.39,-1.56,;.12,-1.89,;.59,-3.36,;4.61,-5.44,;5.89,-6.18,;7.17,-5.45,;5.88,-7.66,;4.6,-8.39,;3.33,-7.64,;1.99,-8.41,;1.98,-9.96,;.64,-10.73,;.64,-12.28,;-.71,-9.95,;7.16,-8.4,;7.15,-9.94,;5.81,-10.71,;8.48,-10.72,;8.48,-12.27,;9.82,-13.04,;9.99,-14.58,;11.5,-14.9,;12.27,-13.56,;13.78,-13.24,;14.26,-11.78,;13.22,-10.63,;11.72,-10.95,;11.24,-12.41,;9.83,-9.95,;9.83,-8.4,;8.49,-7.63,;11.17,-7.63,;12.51,-8.41,;13.85,-7.64,;15.19,-8.42,;16.53,-7.65,;17.87,-8.42,;19.21,-7.65,;17.87,-9.97,;11.18,-6.09,;13.56,-3.23,;14.84,-3.97,;13.56,-1.77,;14.84,-1.02,;16.18,-1.79,;17.59,-1.15,;18.64,-2.3,;17.87,-3.64,;18.34,-5.1,;17.32,-6.25,;15.81,-5.93,;15.33,-4.47,;16.36,-3.32,;12.28,-1.02,;12.28,.45,;11.01,1.19,;13.56,1.19,;14.84,.45,;16.11,1.19,;17.45,.42,;18.8,1.18,;20.13,.41,;21.47,1.17,;20.12,-1.15,;13.56,2.66,;12.28,3.4,;11.01,2.66,;12.28,4.87,;13.56,5.61,;14.9,4.84,;15.07,3.29,;16.58,2.98,;17.35,4.31,;18.86,4.62,;19.34,6.09,;18.3,7.25,;16.8,6.93,;16.33,5.45,;11.01,5.61,;9.74,4.87,;9.74,3.4,)|
Show InChI InChI=1S/C85H110N30O10/c86-81(87)96-31-11-26-61-71(116)111-66(36-46-41-101-56-21-6-1-16-51(46)56)76(121)106-62(27-12-32-97-82(88)89)72(117)112-68(38-48-43-103-58-23-8-3-18-53(48)58)78(123)108-64(29-14-34-99-84(92)93)74(119)114-70(40-50-45-105-60-25-10-5-20-55(50)60)80(125)110-65(30-15-35-100-85(94)95)75(120)115-69(39-49-44-104-59-24-9-4-19-54(49)59)79(124)109-63(28-13-33-98-83(90)91)73(118)113-67(77(122)107-61)37-47-42-102-57-22-7-2-17-52(47)57/h1-10,16-25,41-45,61-70,101-105H,11-15,26-40H2,(H,106,121)(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,116)(H,112,117)(H,113,118)(H,114,119)(H,115,120)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Abl (unknown origin) expressed in Escherichia coli using CrkL as substrate after 20 mins by scintillation counting analysis i...


Bioorg Med Chem Lett 23: 3230-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.124
BindingDB Entry DOI: 10.7270/Q2JW8G8Z
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337691
PNG
(1-(2-(4-Hexyl-1H-1,2,3-triazol-1-yl)ethyl)-3-pheny...)
Show SMILES CCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C21H26N8/c1-2-3-4-8-11-17-14-28(27-25-17)12-13-29-21-18(20(22)23-15-24-21)19(26-29)16-9-6-5-7-10-16/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3,(H2,22,23,24)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337693
PNG
(1-(2-Azidoethyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES Nc1ncnc2n(CCN=[N+]=[N-])nc(-c3ccccc3)c12
Show InChI InChI=1S/C13H12N8/c14-12-10-11(9-4-2-1-3-5-9)19-21(7-6-18-20-15)13(10)17-8-16-12/h1-5,8H,6-7H2,(H2,14,16,17)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337678
PNG
(3-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)CCCO)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C19H20N8O2/c20-18-16-17(13-5-2-1-3-6-13)24-27(19(16)22-12-21-18)10-14-9-26(25-23-14)11-15(29)7-4-8-28/h1-3,5-6,9,12,28H,4,7-8,10-11H2,(H2,20,21,22)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50169260
PNG
(CHEMBL3805705)
Show SMILES C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc(N=[N+]=[N-])c3s2)C(F)(F)F)O1 |r|
Show InChI InChI=1S/C17H16F3N5O3S/c1-9-8-27-16(28-9)2-4-25(5-3-16)15-22-14(26)11-6-10(17(18,19)20)7-12(23-24-21)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate assessed as residual enzymatic activity preincubated for 10 m...


ACS Med Chem Lett 7: 266-70 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00424
BindingDB Entry DOI: 10.7270/Q2SJ1NJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110206
PNG
(1-[2-(Dimethylamino)ethyl]-5-(2-hydroxy-4-methoxyb...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
Show InChI InChI=1S/C17H20N2O4/c1-18(2)8-9-19-11-12(4-7-16(19)21)17(22)14-6-5-13(23-3)10-15(14)20/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a 1.25E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337677
PNG
(CHEMBL1683309 | Ethyl 2-(4-((4-amino-3-phenyl-1H-p...)
Show SMILES CCOC(=O)Cn1cc(Cn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C18H18N8O2/c1-2-28-14(27)10-25-8-13(22-24-25)9-26-18-15(17(19)20-11-21-18)16(23-26)12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3,(H2,19,20,21)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337680
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)Nc4ccc(F)cc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H18FN9O/c23-15-6-8-16(9-7-15)27-18(33)12-31-10-17(28-30-31)11-32-22-19(21(24)25-13-26-22)20(29-32)14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,27,33)(H2,24,25,26)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337688
PNG
(1-(2-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)et...)
Show SMILES COc1ccc(cc1)-c1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C22H20N8O/c1-31-17-9-7-15(8-10-17)18-13-29(28-26-18)11-12-30-22-19(21(23)24-14-25-22)20(27-30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H2,23,24,25)
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n/an/a 1.74E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110208
PNG
(5-(2-Hydroxy-4-methoxybenzoyl)-1-(2-hydroxyethyl)p...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCO)c2)c(O)c1
Show InChI InChI=1S/C15H15NO5/c1-21-11-3-4-12(13(18)8-11)15(20)10-2-5-14(19)16(9-10)6-7-17/h2-5,8-9,17-18H,6-7H2,1H3
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n/an/a 1.99E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110215
PNG
((E)-1-Cyclohexyl-5-[(cyclohexylimino)(2-hydroxyphe...)
Show SMILES Oc1ccccc1\C(=N\C1CCCCC1)c1ccc(=O)n(c1)C1CCCCC1
Show InChI InChI=1S/C24H30N2O2/c27-22-14-8-7-13-21(22)24(25-19-9-3-1-4-10-19)18-15-16-23(28)26(17-18)20-11-5-2-6-12-20/h7-8,13-17,19-20,27H,1-6,9-12H2/b25-24+
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n/an/a 2.01E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110199
PNG
(5-(2-Hydroxybenzoyl)-1-isopropylpyridin-2(1H)-one ...)
Show SMILES CC(C)n1cc(ccc1=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C15H15NO3/c1-10(2)16-9-11(7-8-14(16)18)15(19)12-5-3-4-6-13(12)17/h3-10,17H,1-2H3
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n/an/a 2.18E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110213
PNG
(t-Butyl [2-{5-(2-hydroxy-5-methoxybenzoyl)-2-oxopy...)
Show SMILES COc1ccc(O)c(c1)C(=O)c1ccc(=O)n(CCNC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C20H24N2O6/c1-20(2,3)28-19(26)21-9-10-22-12-13(5-8-17(22)24)18(25)15-11-14(27-4)6-7-16(15)23/h5-8,11-12,23H,9-10H2,1-4H3,(H,21,26)
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n/an/a 2.19E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110209
PNG
(5-(2,5-Dihydroxybenzoyl)-1-hexylpyridin-2(1H)-one ...)
Show SMILES CCCCCCn1cc(ccc1=O)C(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-10-19-12-13(6-9-17(19)22)18(23)15-11-14(20)7-8-16(15)21/h6-9,11-12,20-21H,2-5,10H2,1H3
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n/an/a 2.21E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337681
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)Nc4ccccc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H19N9O/c23-21-19-20(15-7-3-1-4-8-15)28-31(22(19)25-14-24-21)12-17-11-30(29-27-17)13-18(32)26-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,26,32)(H2,23,24,25)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110211
PNG
(1-Hexyl-5-(2-hydroxy-5-methoxybenzoyl)pyridin-2(1H...)
Show SMILES CCCCCCn1cc(ccc1=O)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-6-11-20-13-14(7-10-18(20)22)19(23)16-12-15(24-2)8-9-17(16)21/h7-10,12-13,21H,3-6,11H2,1-2H3
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n/an/a 2.35E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110212
PNG
(1-Cyclohexyl-5-(2-hydroxy-5-methoxybenzoyl)pyridin...)
Show SMILES COc1ccc(O)c(c1)C(=O)c1ccc(=O)n(c1)C1CCCCC1
Show InChI InChI=1S/C19H21NO4/c1-24-15-8-9-17(21)16(11-15)19(23)13-7-10-18(22)20(12-13)14-5-3-2-4-6-14/h7-12,14,21H,2-6H2,1H3
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n/an/a 2.48E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110200
PNG
(1-Cyclohexyl-5-(2-hydroxybenzoyl)pyridin-2(1H)-one...)
Show SMILES Oc1ccccc1C(=O)c1ccc(=O)n(c1)C1CCCCC1
Show InChI InChI=1S/C18H19NO3/c20-16-9-5-4-8-15(16)18(22)13-10-11-17(21)19(12-13)14-6-2-1-3-7-14/h4-5,8-12,14,20H,1-3,6-7H2
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n/an/a 2.54E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110210
PNG
(5-(2,5-Dihydroxybenzoyl)-1-isopropylpyridin-2(1H)-...)
Show SMILES CC(C)n1cc(ccc1=O)C(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C15H15NO4/c1-9(2)16-8-10(3-6-14(16)19)15(20)12-7-11(17)4-5-13(12)18/h3-9,17-18H,1-2H3
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n/an/a 2.61E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110207
PNG
(t-Butyl [2-{5-(2-hydroxy-4-methoxybenzoyl)-2-oxopy...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCNC(=O)OC(C)(C)C)c2)c(O)c1
Show InChI InChI=1S/C20H24N2O6/c1-20(2,3)28-19(26)21-9-10-22-12-13(5-8-17(22)24)18(25)15-7-6-14(27-4)11-16(15)23/h5-8,11-12,23H,9-10H2,1-4H3,(H,21,26)
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n/an/a 2.76E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110202
PNG
(5-(2,4-Dihydroxybenzoyl)-1-hexylpyridin-2(1H)-one ...)
Show SMILES CCCCCCn1cc(ccc1=O)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-10-19-12-13(6-9-17(19)22)18(23)15-8-7-14(20)11-16(15)21/h6-9,11-12,20-21H,2-5,10H2,1H3
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n/an/a 2.77E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110198
PNG
(1-Hexyl-5-(2-hydroxybenzoyl)pyridin-2(1H)-one (28))
Show SMILES CCCCCCn1cc(ccc1=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C18H21NO3/c1-2-3-4-7-12-19-13-14(10-11-17(19)21)18(22)15-8-5-6-9-16(15)20/h5-6,8-11,13,20H,2-4,7,12H2,1H3
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n/an/a 2.81E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110201
PNG
(1-[2-(Dimethylamino)ethyl]-5-(2-hydroxybenzoyl)pyr...)
Show SMILES CN(C)CCn1cc(ccc1=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C16H18N2O3/c1-17(2)9-10-18-11-12(7-8-15(18)20)16(21)13-5-3-4-6-14(13)19/h3-8,11,19H,9-10H2,1-2H3
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n/an/a 2.82E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337687
PNG
(1-(2-(4-(4-Fluorophenyl)-1H-1,2,3-triazol-1-yl)eth...)
Show SMILES Nc1ncnc2n(CCn3cc(nn3)-c3ccc(F)cc3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C21H17FN8/c22-16-8-6-14(7-9-16)17-12-29(28-26-17)10-11-30-21-18(20(23)24-13-25-21)19(27-30)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H2,23,24,25)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50334621
PNG
(2-(4-phenyl-1H-1,2,3-triazol-1-yl)-1-(4-(thiophen-...)
Show SMILES O=C(Cn1cc(nn1)-c1ccccc1)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C20H15N3OS/c24-19(16-8-10-17(11-9-16)20-7-4-12-25-20)14-23-13-18(21-22-23)15-5-2-1-3-6-15/h1-13H,14H2
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n/an/a 3.25E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50334629
PNG
(2-(4-p-tolyl-1H-1,2,3-triazol-1-yl)cyclohexanone |...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)C1CCCCC1=O
Show InChI InChI=1S/C15H17N3O/c1-11-6-8-12(9-7-11)13-10-18(17-16-13)14-4-2-3-5-15(14)19/h6-10,14H,2-5H2,1H3
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n/an/a 3.39E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110204
PNG
(1-Hexyl-5-(2-hydroxy-4-methoxybenzoyl)pyridin-2(1H...)
Show SMILES CCCCCCn1cc(ccc1=O)C(=O)c1ccc(OC)cc1O
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-6-11-20-13-14(7-10-18(20)22)19(23)16-9-8-15(24-2)12-17(16)21/h7-10,12-13,21H,3-6,11H2,1-2H3
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n/an/a 3.41E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene 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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110214
PNG
((E)-5-[(2-Hydroxyphenyl)(isopropylimino)methyl]-1-...)
Show SMILES CC(C)\N=C(/c1ccc(=O)n(c1)C(C)C)c1ccccc1O
Show InChI InChI=1S/C18H22N2O2/c1-12(2)19-18(15-7-5-6-8-16(15)21)14-9-10-17(22)20(11-14)13(3)4/h5-13,21H,1-4H3/b19-18+
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n/an/a 3.79E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50334608
PNG
(1-Phenyl-2-(4-p-tolyl-[1,2,3]triazol-1-yl)-ethanon...)
Show SMILES Cc1ccc(cc1)-c1cn(CC(=O)c2ccccc2)nn1
Show InChI InChI=1S/C17H15N3O/c1-13-7-9-14(10-8-13)16-11-20(19-18-16)12-17(21)15-5-3-2-4-6-15/h2-11H,12H2,1H3
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n/an/a 4.16E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50334628
PNG
(2-(4-phenyl-1H-1,2,3-triazol-1-yl)cyclohexanone | ...)
Show SMILES O=C1CCCCC1n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H15N3O/c18-14-9-5-4-8-13(14)17-10-12(15-16-17)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2
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n/an/a 4.32E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110205
PNG
(5-(2-Hydroxy-4-methoxybenzoyl)-1-isopropylpyridin-...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(c2)C(C)C)c(O)c1
Show InChI InChI=1S/C16H17NO4/c1-10(2)17-9-11(4-7-15(17)19)16(20)13-6-5-12(21-3)8-14(13)18/h4-10,18H,1-3H3
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n/an/a 4.70E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50334611
PNG
(1-p-tolyl-2-(4-p-tolyl-1H-1,2,3-triazol-1-yl)ethan...)
Show SMILES Cc1ccc(cc1)C(=O)Cn1cc(nn1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H17N3O/c1-13-3-7-15(8-4-13)17-11-21(20-19-17)12-18(22)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3
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n/an/a 4.98E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src after 60 mins


Bioorg Med Chem Lett 21: 449-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.121
BindingDB Entry DOI: 10.7270/Q23B60DN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345171
PNG
(CHEMBL1779738 | N-((1H-Indol-3-yl)(phenyl)methyl)-...)
Show SMILES CN(C(c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c1-24(18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)20-16-23-21-15-9-8-14-19(20)21/h2-16,22-23H,1H3
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n/an/a 5.06E+4n/an/an/an/an/an/a



India Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src using AEEEIYGEFEAKKKK substrate by fluorescence intensity assay


Bioorg Med Chem Lett 21: 3511-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.010
BindingDB Entry DOI: 10.7270/Q2R49R44
More data for this
Ligand-Target Pair
Proto-oncogene 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
Proto-oncogene 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
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM110203
PNG
(t-Butyl [2-{5-(2,4-dihydroxybenzoyl)-2-oxopyridin-...)
Show SMILES CC(C)(C)OC(=O)NCCn1cc(ccc1=O)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C19H22N2O6/c1-19(2,3)27-18(26)20-8-9-21-11-12(4-7-16(21)24)17(25)14-6-5-13(22)10-15(14)23/h4-7,10-11,22-23H,8-9H2,1-3H3,(H,20,26)
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n/an/a 5.78E+4n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345179
PNG
(CHEMBL1779746 | N-((1H-Indol-3-yl)(3-nitrophenyl)m...)
Show SMILES CN(C(c1c[nH]c2ccccc12)c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-24(17-9-3-2-4-10-17)22(16-8-7-11-18(14-16)25(26)27)20-15-23-21-13-6-5-12-19(20)21/h2-15,22-23H,1H3
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n/an/a 5.83E+4n/an/an/an/an/an/a



India Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of c-Src using AEEEIYGEFEAKKKK substrate by fluorescence intensity assay


Bioorg Med Chem Lett 21: 3511-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.010
BindingDB Entry DOI: 10.7270/Q2R49R44
More data for this
Ligand-Target Pair
Proto-oncogene 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
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