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BDBM50443647 CHEMBL3093077

SMILES: Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1

InChI Key: InChIKey=RYHDTMIFZDAZSM-OAHLLOKOSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50443647   
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
CDC7 and DBF4


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 4eBP1 ULight peptide as substrate by HTRF assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7-mediated MCM2 phosphorylation at Ser53 in human HCT116 cells after 14 hrs by immunostaining assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) using ULight peptide as substrate by HTRF assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) by HTRF assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair