BDBM31533 pyrazolo[4,3-h]quinazoline-3-carboxamide, 16

SMILES: CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21

InChI Key: InChIKey=UOZGSFYRTXKQQR-UHFFFAOYSA-N

Data: 12 IC50

PDB links: 1 PDB ID contains this monomer as substructures.

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 12 hits for monomerid = 31533   

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))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	19	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 (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	312	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))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	19	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))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	4.22E+3	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
Aurora kinase A (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	312	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Jiangnan University Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A2 (unknown origin) using FAM-labeled peptide as substrate after 40 mins				Eur J Med Chem 157: 935-945 (2018) Article DOI: 10.1016/j.ejmech.2018.08.043 BindingDB Entry DOI: 10.7270/Q23T9KXC
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	312	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	19	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				3D Structure (docked)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	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	4.22E+3	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
CDK4/Cyclin D3 (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Jiangnan University Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate after 40 mins				Eur J Med Chem 157: 935-945 (2018) Article DOI: 10.1016/j.ejmech.2018.08.043 BindingDB Entry DOI: 10.7270/Q23T9KXC
					More data for this Ligand-Target Pair
CDK6/CycD3 (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangnan University Curated by ChEMBL					Assay Description Inhibition of CDK6/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate after 40 mins				Eur J Med Chem 157: 935-945 (2018) Article DOI: 10.1016/j.ejmech.2018.08.043 BindingDB Entry DOI: 10.7270/Q23T9KXC
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM31533 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 16) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+3	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