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BDBM50242512 CHEMBL4098682

SMILES: Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1

InChI Key: InChIKey=ITNDOQQPJSLLLO-UHFFFAOYSA-N

Data: 1 KI  13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50242512   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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Article
PubMed
5.67E+3n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys...


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK1


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of MARK1 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of DAPK1 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of MEKK2 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of PKC alpha (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of DMPK (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of IRAK (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CK1 alpha (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 21


(Homo sapiens)
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of MLK4 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50242512
PNG
(CHEMBL4098682)
Show SMILES Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
Show InChI InChI=1S/C19H19N5O/c1-10-3-5-12(6-4-10)9-21-17-16-13-8-15(25)11(2)7-14(13)22-18(16)24-19(20)23-17/h3-8,25H,9H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Wee1 (unknown origin)


Bioorg Med Chem Lett 27: 2708-2712 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.053
BindingDB Entry DOI: 10.7270/Q2J67KBT
More data for this
Ligand-Target Pair