BDBM50446469 CHEMBL3109949

SMILES: COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1

InChI Key: InChIKey=SXJKXTZFHYHUNX-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 = 50446469   

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))	BDBM50446469 (CHEMBL3109949) Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C17H15N5O/c1-23-14-4-2-13(3-5-14)21-17-7-16-11(8-18-17)6-15(22-16)12-9-19-20-10-12/h2-10,22H,1H3,(H,18,21)(H,19,20)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay				J Med Chem 56: 10045-65 (2013) Article DOI: 10.1021/jm401395s BindingDB Entry DOI: 10.7270/Q2JM2C4W
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50446469 (CHEMBL3109949) Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C17H15N5O/c1-23-14-4-2-13(3-5-14)21-17-7-16-11(8-18-17)6-15(22-16)12-9-19-20-10-12/h2-10,22H,1H3,(H,18,21)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay				J Med Chem 56: 10045-65 (2013) Article DOI: 10.1021/jm401395s BindingDB Entry DOI: 10.7270/Q2JM2C4W
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50446469 (CHEMBL3109949) Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C17H15N5O/c1-23-14-4-2-13(3-5-14)21-17-7-16-11(8-18-17)6-15(22-16)12-9-19-20-10-12/h2-10,22H,1H3,(H,18,21)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...				J Med Chem 56: 10045-65 (2013) Article DOI: 10.1021/jm401395s BindingDB Entry DOI: 10.7270/Q2JM2C4W
					More data for this Ligand-Target Pair