BDBM50307527 1-Benzyl-8-(cyclopentylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]-quinazoline-3-carboxamide::CHEMBL607187

SMILES: NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21

InChI Key: InChIKey=HCLVUOIGTCCQQB-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 = 50307527   

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))	BDBM50307527 (1-Benzyl-8-(cyclopentylamino)-4,5-dihydro-1H-pyraz...) Show SMILES NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-11-10-15-12-24-22(25-16-8-4-5-9-16)26-18(15)20(17)28(27-19)13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H2,23,29)(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))	BDBM50307527 (1-Benzyl-8-(cyclopentylamino)-4,5-dihydro-1H-pyraz...) Show SMILES NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-11-10-15-12-24-22(25-16-8-4-5-9-16)26-18(15)20(17)28(27-19)13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H2,23,29)(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	23	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