BDBM50321581 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE::1-methyl-8-(4-(4-methylpiperazin-1-yl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1169805
SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(=O)NCc2ccnc(C)c2)cc1
InChI Key: InChIKey=BMPXFYMECYEYOL-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 2 (Homo sapiens (Human)) | BDBM50321581 (1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMIN...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of CDK2 | Bioorg Med Chem Lett 20: 4095-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.070 BindingDB Entry DOI: 10.7270/Q2NP25C5 | |||||||||||
More data for this Ligand-Target Pair |