BDBM50318099 8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1098058

SMILES: NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21

InChI Key: InChIKey=ABDGGOBNHQMXIJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50318099   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50318099 (8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-di...) Show SMILES NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C23H27N7O/c24-22(31)20-18-10-9-16-15-25-23(26-17-7-3-1-4-8-17)27-19(16)21(18)30(28-20)14-13-29-11-5-2-6-12-29/h1,3-4,7-8,15H,2,5-6,9-14H2,(H2,24,31)(H,25,26,27)	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	30	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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50318099 (8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-di...) Show SMILES NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C23H27N7O/c24-22(31)20-18-10-9-16-15-25-23(26-17-7-3-1-4-8-17)27-19(16)21(18)30(28-20)14-13-29-11-5-2-6-12-29/h1,3-4,7-8,15H,2,5-6,9-14H2,(H2,24,31)(H,25,26,27)	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 GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318099 (8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-di...) Show SMILES NC(=O)c1nn(CCN2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C23H27N7O/c24-22(31)20-18-10-9-16-15-25-23(26-17-7-3-1-4-8-17)27-19(16)21(18)30(28-20)14-13-29-11-5-2-6-12-29/h1,3-4,7-8,15H,2,5-6,9-14H2,(H2,24,31)(H,25,26,27)	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	2.85E+3	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 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D
					More data for this Ligand-Target Pair