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5 similar compounds to monomer 50187997

Compile data set for download or QSAR
Wt: 390.4
BDBM50188000
Wt: 448.3
BDBM50187992
Wt: 376.4
BDBM50187995
Wt: 394.4
BDBM50187996
Wt: 396.8
BDBM50188002

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50188000,50187992,50187995,50187996,50188002   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187992
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H12F4N6OS/c20-12-6-3-10(19(21,22)23)7-13(12)28-18(30)27-11-4-1-9(2-5-11)15-14-16(24)25-8-26-17(14)31-29-15/h1-8H,(H2,24,25,26)(H2,27,28,30)
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50188000
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H18N6OS/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50188002
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C18H13ClN6OS/c19-11-2-1-3-13(8-11)24-18(26)23-12-6-4-10(5-7-12)15-14-16(20)21-9-22-17(14)27-25-15/h1-9H,(H2,20,21,22)(H2,23,24,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187992
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H12F4N6OS/c20-12-6-3-10(19(21,22)23)7-13(12)28-18(30)27-11-4-1-9(2-5-11)15-14-16(24)25-8-26-17(14)31-29-15/h1-8H,(H2,24,25,26)(H2,27,28,30)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187992
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H12F4N6OS/c20-12-6-3-10(19(21,22)23)7-13(12)28-18(30)27-11-4-1-9(2-5-11)15-14-16(24)25-8-26-17(14)31-29-15/h1-8H,(H2,24,25,26)(H2,27,28,30)
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n/an/a 28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CKIT


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 79n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50187992
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H12F4N6OS/c20-12-6-3-10(19(21,22)23)7-13(12)28-18(30)27-11-4-1-9(2-5-11)15-14-16(24)25-8-26-17(14)31-29-15/h1-8H,(H2,24,25,26)(H2,27,28,30)
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n/an/a 75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CKIT


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CKIT


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187992
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H12F4N6OS/c20-12-6-3-10(19(21,22)23)7-13(12)28-18(30)27-11-4-1-9(2-5-11)15-14-16(24)25-8-26-17(14)31-29-15/h1-8H,(H2,24,25,26)(H2,27,28,30)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50188002
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C18H13ClN6OS/c19-11-2-1-3-13(8-11)24-18(26)23-12-6-4-10(5-7-12)15-14-16(20)21-9-22-17(14)27-25-15/h1-9H,(H2,20,21,22)(H2,23,24,26)
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50188000
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H18N6OS/c1-2-12-4-3-5-15(10-12)25-20(27)24-14-8-6-13(7-9-14)17-16-18(21)22-11-23-19(16)28-26-17/h3-11H,2H2,1H3,(H2,21,22,23)(H2,24,25,27)
PDB
MMDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
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))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair