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BDBM6676 3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a]pyridin-2-amine::aminoimidazo[1,2-a]pyridine deriv. 13

SMILES: Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F

InChI Key: InChIKey=WUGJIPFLBOATGL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 6676   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM6676
PNG
(3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2
PDB

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 324n/an/an/an/an/a25



Avenida de la Industria



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6676
PNG
(3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

Article
PubMed
n/an/a 5.05E+3n/an/an/an/an/a25



Avenida de la Industria



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6676
PNG
(3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2
PDB
MMDB

Reactome pathway
KEGG

DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 326n/an/an/an/an/a25



Avenida de la Industria



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair