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)	Ligand	Target/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	pH	Temp °C
CDK2/CycE (Homo sapiens (Human))	BDBM6676 (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/a	n/a	324	n/a	n/a	n/a	n/a	n/a	25
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 Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6676 (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/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	25
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 (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/a	n/a	326	n/a	n/a	n/a	n/a	n/a	25
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