BDBM50307531 8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL600394

SMILES: CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21

InChI Key: InChIKey=RANSINIOMGOPCF-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 = 50307531   

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))	BDBM50307531 (8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...) Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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				J Med Chem 53: 2171-87 (2010) Article DOI: 10.1021/jm901710h BindingDB Entry DOI: 10.7270/Q2N879W9
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50307531 (8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...) Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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				J Med Chem 53: 2171-87 (2010) Article DOI: 10.1021/jm901710h BindingDB Entry DOI: 10.7270/Q2N879W9
					More data for this Ligand-Target Pair