BDBM31545 Milciclib::pyrazolo[4,3-h]quinazoline-3-carboxamide, 28
SMILES: CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
InChI Key: InChIKey=RXZMYLDMFYNEIM-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 (CDK2) (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 265 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
High affinity nerve growth factor receptor (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A/Targeting protein for Xklp2 (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/Cyclin O (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab Curated by ChEMBL | Assay Description Inhibition of CDK2 (unknown origin) | Eur J Med Chem 142: 424-458 (2017) BindingDB Entry DOI: 10.7270/Q2S1856W | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | 25 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ephrin type-A receptor 2 (EPHA2) (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 672 | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich | Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M... | ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by iso... | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetry | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Wee1-like protein kinase 2 (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center Curated by ChEMBL | Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso... | J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM31545![]() (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | 25 |
Nerviano Medical Sciences srl | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat... | J Med Chem 52: 5152-63 (2009) Article DOI: 10.1021/jm9006559 BindingDB Entry DOI: 10.7270/Q2JH3JJP | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |