BindingDB PrimarySearch

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

Data: 7 IC50 4 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 31545
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))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Srl					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...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Srl					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...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair
Wee1-like protein kinase 2 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	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
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Nerviano Medical Sciences Srl					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...) Show SMILES Show InChI	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
Technical University of Munich					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Moffitt Cancer Center Curated by ChEMBL					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...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM31545 (Milciclib \| pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES Show InChI	PDB UniProtKB/SwissProt 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
Nerviano Medical Sciences Srl					More data for this Ligand-Target Pair				3D Structure (crystal)