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SMILES: Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1

InChI Key: InChIKey=RZEPRPGFGRQXDI-UHFFFAOYSA-N

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 7 hits for monomerid = 50149481   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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n/an/a 237n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against checkpoint kinase 1 (Chk1) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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PubMed
n/an/a 2.54E+3n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human protein kinase C alpha (PKCa) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human casein kinase 1 delta (CK1 delta) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human protein kinase C beta-2 (PKCbetaII) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human mitogen-activated protein kinase-1 (MEK-1) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human casein kinase 2 (CK2) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50149481
PNG
(5-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene...)
Show SMILES Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
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PC sid
UniChem

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



Michigan State University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against checkpoint kinase 2 (Chk2) by using [gamma-33P]-ATP] as radioligand


Bioorg Med Chem Lett 14: 4319-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.079
BindingDB Entry DOI: 10.7270/Q2ZP45MV
More data for this
Ligand-Target Pair