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SMILES: Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12

InChI Key: InChIKey=UOLGGWWZSJIIHY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307549   

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))	BDBM50307549 (1-Methyl-8-[(pyridin-4-ylmethyl)amino]-4,5-dihydro...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12 Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)3-2-11-9-21-17(22-13(11)15)20-8-10-4-6-19-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,18,25)(H,20,21,22)	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	1.92E+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				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
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50307549 (1-Methyl-8-[(pyridin-4-ylmethyl)amino]-4,5-dihydro...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12 Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)3-2-11-9-21-17(22-13(11)15)20-8-10-4-6-19-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,18,25)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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