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BDBM35181 indazole-benzimidazole, 17

SMILES: COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1

InChI Key: InChIKey=XONAFDRMWJEXGF-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 35181   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM35181
PNG
(indazole-benzimidazole, 17)
Show SMILES COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
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KEGG

UniProtKB/SwissProt

B.MOAD
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MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/a25



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM35181
PNG
(indazole-benzimidazole, 17)
Show SMILES COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 23.3n/an/an/an/a7.523



Pfizer



Assay Description
Protein kinase C (PKC), zeta activity was measured by following the phosphorylation of a biotinylated peptide substrate in the presence of ATP using ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair