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
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM12082![]() (((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB 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 °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 | |||||||||||
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...) | PDB MMDB KEGG B.MOAD GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB 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 °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 | |||||||||||
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...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia 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 °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 | |||||||||||
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...) | PDB MMDB KEGG B.MOAD GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB 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 °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 | |||||||||||
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...) | PDB MMDB KEGG B.MOAD GoogleScholar | MMDB PC cid PC sid PDB UniChem Similars | MMDB 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 °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 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |