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PubMed code 16460940

Compile data set for download or QSAR
Found 13 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human KDR


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human PDGFR


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human FGFR


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 466n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Fyn


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 545n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human EGFR


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against EphB3


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 9.01E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PKA


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Erk2


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against AKT


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PKC delta


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PKC alpha


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50182212
PNG
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)
Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against SGK


Bioorg Med Chem Lett 16: 1950-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.092
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%