BDBM50379492 CHEMBL2012402

SMILES: Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O

InChI Key: InChIKey=MSGWNYXBVMCUNQ-DDFAGTSDSA-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 = 50379492   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair