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PubMed code 19053831

Compile data set for download or QSAR
Found 39 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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human INSR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CycD1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human MET


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human SRC


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246730
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES NC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:10|
Show InChI InChI=1S/C24H21N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,18H,4,10,12-13H2,(H3,25,26)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human AXL


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human FAK


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human EGFR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50246732
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
Show InChI InChI=1S/C25H23N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,19H,5,11,13-14H2,1H3,(H2,26,27)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human INSR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246732
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
Show InChI InChI=1S/C25H23N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,19H,5,11,13-14H2,1H3,(H2,26,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246732
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
Show InChI InChI=1S/C25H23N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,19H,5,11,13-14H2,1H3,(H2,26,27)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CycD1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CycD1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human INSR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50246732
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
Show InChI InChI=1S/C25H23N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,19H,5,11,13-14H2,1H3,(H2,26,27)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human MET


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246731
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:12|
Show InChI InChI=1S/C26H25N5O2S/c1-2-28-26(27)34-14-6-12-30-24(32)22-23(25(30)33)31-19-10-4-3-7-17(19)15-20(31)18-9-5-8-16-11-13-29(22)21(16)18/h3-5,7-11,13,20H,2,6,12,14-15H2,1H3,(H2,27,28)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246773
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES C=CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:13|
Show InChI InChI=1S/C27H25N5O2S/c1-2-12-29-27(28)35-15-6-13-31-25(33)23-24(26(31)34)32-20-10-4-3-7-18(20)16-21(32)19-9-5-8-17-11-14-30(23)22(17)19/h2-5,7-11,14,21H,1,6,12-13,15-16H2,(H2,28,29)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CycD1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human MET


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human ERBB2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246775
PNG
(2-[3-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)propyl]...)
Show SMILES O=C1N(CCCSC2=NCCN2)C(=O)C2=C1N1C(Cc3ccccc13)c1cccc3ccn2c13 |c:15,t:7|
Show InChI InChI=1S/C26H23N5O2S/c32-24-22-23(25(33)30(24)12-4-14-34-26-27-10-11-28-26)31-19-8-2-1-5-17(19)15-20(31)18-7-3-6-16-9-13-29(22)21(16)18/h1-3,5-9,13,20H,4,10-12,14-15H2,(H,27,28)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyc2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CycD1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human TIE2


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human EGFR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50246815
PNG
(3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...)
Show SMILES N=C(Nc1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:17|
Show InChI InChI=1S/C30H25N5O2S/c31-30(32-21-10-2-1-3-11-21)38-17-7-15-34-28(36)26-27(29(34)37)35-23-13-5-4-8-20(23)18-24(35)22-12-6-9-19-14-16-33(26)25(19)22/h1-6,8-14,16,24H,7,15,17-18H2,(H2,31,32)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human ARK5


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50246774
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
Show InChI InChI=1S/C24H19N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,13H,4,10,12H2,(H3,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/a 9.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human PLK1


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50246776
PNG
(3-(1,3-Dioxo-1,3-dihydro-2H-indolo[1',7':4,5,6]pyr...)
Show SMILES CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Show InChI InChI=1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



Institute of General Genetics

Curated by ChEMBL


Assay Description
Inhibition of human EGFR


J Med Chem 51: 7731-6 (2008)


Article DOI: 10.1021/jm800758s
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%