BDBM31537 pyrazolo[4,3-h]quinazoline-3-carboxamide, 20

SMILES: Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12

InChI Key: InChIKey=VRZQAXBLQMWLAF-UHFFFAOYSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 31537   

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))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	574	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
Aurora kinase A (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 A/Cyclin A1 (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	574	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	574	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting				Bioorg Med Chem Lett 21: 4507-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.122 BindingDB Entry DOI: 10.7270/Q2R211RS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31537 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 20) Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair