BDBM24649 4-N-(2,6-difluorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido::pyrazole diamide, 28
SMILES: Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChI Key: InChIKey=CXBHMSHVCKEEGW-UHFFFAOYSA-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 1 (CDK1) (Homo sapiens (Human)) | BDBM24649 (4-N-(2,6-difluorobenzene)-3-N-(piperidin-4-yl)-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1.... | J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM24649 (4-N-(2,6-difluorobenzene)-3-N-(piperidin-4-yl)-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Astex | Assay Description CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1.... | J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |