BDBM31547 pyrazolo[4,3-h]quinazoline-3-carboxamide, 30

SMILES: CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21

InChI Key: InChIKey=GPJNTQGFTWMDLA-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 = 31547   

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))	BDBM31547 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 30) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21 Show InChI InChI=1S/C24H29N7O2/c1-24(2)13-15-14-26-23(27-16-5-7-17(8-6-16)31-9-11-33-12-10-31)28-19(15)21-18(24)20(22(32)25-3)29-30(21)4/h5-8,14H,9-13H2,1-4H3,(H,25,32)(H,26,27,28)	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	649	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))	BDBM31547 (pyrazolo[4,3-h]quinazoline-3-carboxamide, 30) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21 Show InChI InChI=1S/C24H29N7O2/c1-24(2)13-15-14-26-23(27-16-5-7-17(8-6-16)31-9-11-33-12-10-31)28-19(15)21-18(24)20(22(32)25-3)29-30(21)4/h5-8,14H,9-13H2,1-4H3,(H,25,32)(H,26,27,28)	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	137	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)