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BDBM50443651 CHEMBL3093073

SMILES: CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1

InChI Key: InChIKey=IDWMTFSSSIBSAB-MRXNPFEDSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50443651   
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))
BDBM50443651
PNG
(CHEMBL3093073)
Show SMILES CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O/c1-12(2)16(13-7-4-3-5-8-13)22-19-24-23-18(25-19)15-11-21-17-14(15)9-6-10-20-17/h3-12,16H,1-2H3,(H,20,21)(H,22,24)/t16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50443651
PNG
(CHEMBL3093073)
Show SMILES CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O/c1-12(2)16(13-7-4-3-5-8-13)22-19-24-23-18(25-19)15-11-21-17-14(15)9-6-10-20-17/h3-12,16H,1-2H3,(H,20,21)(H,22,24)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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))
BDBM50443651
PNG
(CHEMBL3093073)
Show SMILES CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O/c1-12(2)16(13-7-4-3-5-8-13)22-19-24-23-18(25-19)15-11-21-17-14(15)9-6-10-20-17/h3-12,16H,1-2H3,(H,20,21)(H,22,24)/t16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+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