BDBM31558 pyrazolo[4,3-h]quinazoline-3-carboxamide, 41

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

InChI Key: InChIKey=BHEDZIRZEYUIFN-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 = 31558   

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))	BDBM31558 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 41) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21 Show InChI InChI=1S/C23H29N7O/c1-23(2)11-15-12-25-22(26-16-9-7-8-14(10-16)13-29(4)5)27-18(15)20-17(23)19(21(31)24-3)28-30(20)6/h7-10,12H,11,13H2,1-6H3,(H,24,31)(H,25,26,27)	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	2.94E+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))	BDBM31558 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 41) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21 Show InChI InChI=1S/C23H29N7O/c1-23(2)11-15-12-25-22(26-16-9-7-8-14(10-16)13-29(4)5)27-18(15)20-17(23)19(21(31)24-3)28-30(20)6/h7-10,12H,11,13H2,1-6H3,(H,24,31)(H,25,26,27)	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	83	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)