BDBM50307523 8-(Cyclopentylamino)-N-1-dimethyl-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide::CHEMBL598382

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

InChI Key: InChIKey=HDNVPRNOUJXPEZ-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 = 50307523   

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))	BDBM50307523 (8-(Cyclopentylamino)-N-1-dimethyl-4,5-dihydro-1H-p...) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C17H22N6O/c1-18-16(24)14-12-8-7-10-9-19-17(20-11-5-3-4-6-11)21-13(10)15(12)23(2)22-14/h9,11H,3-8H2,1-2H3,(H,18,24)(H,19,20,21)	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))	BDBM50307523 (8-(Cyclopentylamino)-N-1-dimethyl-4,5-dihydro-1H-p...) Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C17H22N6O/c1-18-16(24)14-12-8-7-10-9-19-17(20-11-5-3-4-6-11)21-13(10)15(12)23(2)22-14/h9,11H,3-8H2,1-2H3,(H,18,24)(H,19,20,21)	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	97	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