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SMILES: Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12

InChI Key: InChIKey=TVSSLJHFDCVIRP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307548   

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))	BDBM50307548 (8-[(4-Bromobenzyl)amino]-1-methyl-4,5-dihydro-1H-p...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12 Show InChI InChI=1S/C18H17BrN6O/c1-25-16-13(15(24-25)17(20)26)7-4-11-9-22-18(23-14(11)16)21-8-10-2-5-12(19)6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H2,20,26)(H,21,22,23)	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	1.69E+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))	BDBM50307548 (8-[(4-Bromobenzyl)amino]-1-methyl-4,5-dihydro-1H-p...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12 Show InChI InChI=1S/C18H17BrN6O/c1-25-16-13(15(24-25)17(20)26)7-4-11-9-22-18(23-14(11)16)21-8-10-2-5-12(19)6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H2,20,26)(H,21,22,23)	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	81	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