BDBM31556 pyrazolo[4,3-h]quinazoline-3-carboxamide, 39

SMILES: CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21

InChI Key: InChIKey=AMVGGNXTABOYMX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 31556   

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
Aurora kinase A (Homo sapiens (Human))	BDBM31556 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 39) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21 Show InChI InChI=1S/C22H27N7O/c1-22(2)11-13-12-24-21(25-14-8-7-9-15(10-14)28(4)5)26-17(13)19-16(22)18(20(30)23-3)27-29(19)6/h7-10,12H,11H2,1-6H3,(H,23,30)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM31556 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 39) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21 Show InChI InChI=1S/C22H27N7O/c1-22(2)11-13-12-24-21(25-14-8-7-9-15(10-14)28(4)5)26-17(13)19-16(22)18(20(30)23-3)27-29(19)6/h7-10,12H,11H2,1-6H3,(H,23,30)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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)