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PubMed code 20361800

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM50317169
PNG
((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)|
Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1
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n/an/a 1.70n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317171
PNG
((2'Z,3'E)-5-Fluoro-5'-fluoro-indirubin-3'-oxime | ...)
Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(F)cc2c1N=O
Show InChI InChI=1S/C16H9F2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)
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n/an/a 1.80n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
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n/an/a 1.90n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317163
PNG
((2'Z,3'E)-5-Fluoro-5'-hydroxy-indirubin-3'-oxime |...)
Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C16H10FN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)
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n/an/a 2.30n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317162
PNG
((2'Z,3'E)-5-Chloro-5'-hydroxy-indirubin-3'-oxime |...)
Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1
Show InChI InChI=1S/C16H10ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317177
PNG
(5-nitroindirubin-3'-oxime | CHEMBL369303)
Show SMILES Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O |(-.11,-4.55,;.8,-3.31,;2.35,-3.31,;2.82,-1.84,;4.22,-1.22,;4.38,.32,;3.13,1.23,;1.73,.6,;1.58,-.94,;.33,-1.84,;-1.21,-1.82,;-2.13,-3.07,;-3.6,-2.58,;-4.91,-3.35,;-6.24,-2.58,;-6.24,-1.05,;-4.91,-.26,;-3.58,-1.03,;-2.11,-.57,;-1.62,.9,;-2.65,2.04,;3.29,2.75,;4.69,3.38,;2.05,3.65,)|
Show InChI InChI=1S/C16H9N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17H,(H,18,21)/q-1/p+1
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n/an/a 7.40n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317170
PNG
((2'Z,3'E)-5-Chloro-5'-fluoro-indirubin-3'-oxime | ...)
Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1
Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)
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n/an/a 8n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317164
PNG
((2'Z,3'E)-5-Trifluoromethoxy-5'-hydroxy-indirubin-...)
Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C17H10F3N3O4/c18-17(19,20)27-8-2-4-11-9(6-8)13(16(25)22-11)15-14(23-26)10-5-7(24)1-3-12(10)21-15/h1-6,13,21,24H,(H,22,25)
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n/an/a 8.30n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317173
PNG
((2'Z,3'E)-5-Nitro-5'-methyl-indirubin-3'-oxime | C...)
Show SMILES Cc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(23.35,-22.07,;24.68,-22.84,;24.68,-24.38,;26.01,-25.15,;27.35,-24.38,;28.82,-24.86,;29.73,-23.61,;28.82,-22.35,;29.3,-20.89,;30.8,-20.57,;27.34,-22.83,;26.01,-22.07,;31.27,-23.61,;32.17,-22.36,;31.85,-20.86,;32.98,-19.83,;34.46,-20.3,;34.78,-21.81,;33.64,-22.84,;33.64,-24.38,;32.18,-24.85,;31.7,-26.32,;32.66,-18.33,;33.79,-17.29,;31.19,-17.86,)|
Show InChI InChI=1S/C17H11N4O4/c1-8-2-4-13-11(6-8)15(20-23)16(18-13)14-10-7-9(21(24)25)3-5-12(10)19-17(14)22/h2-7,18H,1H3,(H,19,22)/q-1/p+1
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n/an/a 8.70n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317167
PNG
((2'Z,3'E)-5-Fluoro-5'-chloro-indirubin-3'-oxime | ...)
Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O
Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-12-10(5-7)14(21-23)15(19-12)13-9-6-8(18)2-4-11(9)20-16(13)22/h1-6,13,19H,(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317166
PNG
((2'Z,3'E)-5-Chloro-5'-chloro-indirubin-3'-oxime | ...)
Show SMILES Clc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O
Show InChI InChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)
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n/an/a 11n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
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n/an/a 13n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B after 40 mins by liquid scintillation counting


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317165
PNG
((2'Z,3'E)-5-Nitro-5'-chloro-indirubin-3'-oxime | C...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(Cl)cc4c3N=[OH+])c2c1 |(18.15,-5.7,;17.01,-6.74,;15.55,-6.27,;17.34,-8.24,;18.82,-8.71,;19.14,-10.22,;18,-11.25,;18,-12.79,;16.53,-13.26,;16.06,-14.73,;15.63,-12.02,;14.09,-12.02,;13.18,-13.27,;11.7,-12.79,;10.37,-13.56,;9.04,-12.79,;9.04,-11.25,;7.7,-10.48,;10.37,-10.48,;11.7,-11.24,;13.18,-10.76,;13.65,-9.3,;15.16,-8.98,;16.53,-10.77,;16.21,-9.27,)|
Show InChI InChI=1S/C16H8ClN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1
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n/an/a 24n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317172
PNG
((2'Z,3'E)-5-Trifluoromethoxy-5'-fluoro-indirubin-3...)
Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C17H9F4N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)
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n/an/a 60n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317168
PNG
((2'Z,3'E)-5-Trifluoromethoxy-5'-chloro-indirubin-3...)
Show SMILES FC(F)(F)Oc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O
Show InChI InChI=1S/C17H9ClF3N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)
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n/an/a 76n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50317165
PNG
((2'Z,3'E)-5-Nitro-5'-chloro-indirubin-3'-oxime | C...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(Cl)cc4c3N=[OH+])c2c1 |(18.15,-5.7,;17.01,-6.74,;15.55,-6.27,;17.34,-8.24,;18.82,-8.71,;19.14,-10.22,;18,-11.25,;18,-12.79,;16.53,-13.26,;16.06,-14.73,;15.63,-12.02,;14.09,-12.02,;13.18,-13.27,;11.7,-12.79,;10.37,-13.56,;9.04,-12.79,;9.04,-11.25,;7.7,-10.48,;10.37,-10.48,;11.7,-11.24,;13.18,-10.76,;13.65,-9.3,;15.16,-8.98,;16.53,-10.77,;16.21,-9.27,)|
Show InChI InChI=1S/C16H8ClN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1
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n/an/a 195n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B after 40 mins by liquid scintillation counting


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant auroraA preincubated for 15 mins by HTRF assay


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317174
PNG
((2'Z,3'E)-5-Nitro-5'-methoxy-indirubin-3'-oxime | ...)
Show SMILES COc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-5.72,-39.64,;-5.72,-41.18,;-4.38,-41.95,;-4.38,-43.49,;-3.05,-44.26,;-1.72,-43.49,;-.24,-43.97,;.67,-42.72,;-.24,-41.46,;.23,-40,;1.74,-39.67,;-1.72,-41.94,;-3.05,-41.18,;2.21,-42.72,;3.11,-41.47,;2.79,-39.97,;3.92,-38.94,;5.4,-39.41,;5.72,-40.91,;4.58,-41.94,;4.58,-43.48,;3.11,-43.96,;2.64,-45.43,;3.59,-37.44,;4.73,-36.4,;2.13,-36.97,)|
Show InChI InChI=1S/C17H11N4O5/c1-26-9-3-5-13-11(7-9)15(20-23)16(18-13)14-10-6-8(21(24)25)2-4-12(10)19-17(14)22/h2-7,18H,1H3,(H,19,22)/q-1/p+1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant TrKa preincubated for 15 mins by HTRF assay


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317175
PNG
((2'Z,3'E)-5-Fluoro-5'-methoxy-indirubin-3'-oxime |...)
Show SMILES COc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C17H12FN3O3/c1-24-9-3-5-13-11(7-9)15(21-23)16(19-13)14-10-6-8(18)2-4-12(10)20-17(14)22/h2-7,14,19H,1H3,(H,20,22)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50317176
PNG
((2'Z,3'E)-5-Trifluoromethoxy-5'-methoxy-indirubin-...)
Show SMILES COc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1
Show InChI InChI=1S/C18H12F3N3O4/c1-27-8-2-4-13-11(6-8)15(24-26)16(22-13)14-10-7-9(28-18(19,20)21)3-5-12(10)23-17(14)25/h2-7,14,22H,1H3,(H,23,25)
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n/an/a 8.62E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50317161
PNG
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)
Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)|
Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK-beta preincubated for 15 mins by HTRF assay


J Med Chem 53: 3696-706 (2010)


Article DOI: 10.1021/jm100080z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%