BindingDB PrimarySearch

BDBM12082 ((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamino)-2-hydroxy-propoxy)-phenylamino]-pyrimidin-4-yl}-amino)-acetonitrile::2-[(2-chloro-5-methylphenyl)[6-({4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)pyrimidin-4-yl]amino]acetonitrile::AZ2

SMILES: CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(C)ccc2Cl)cc1

InChI Key: InChIKey=FIRZNFNHYVXQPP-LJQANCHMSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12082
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM12082 (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2) Mutant (K89T) (Homo sapiens (Human))	BDBM12082 (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM12082 (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) Mutant (F82H/L83V/H84D/K89T) (Homo sapiens (Human))	BDBM12082 (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2) Mutant (F82H/L83V/H84D) (Homo sapiens (Human))	BDBM12082 (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)