BDBM50446458 CHEMBL3109957

SMILES: COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1

InChI Key: InChIKey=VZCBKNMEUYMJGG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50446458   

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))	BDBM50446458 (CHEMBL3109957) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)	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	>1.00E+5	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
Aurora kinase B (Homo sapiens (Human))	BDBM50446458 (CHEMBL3109957) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 Aurora B (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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50446458 (CHEMBL3109957) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50446458 (CHEMBL3109957) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)	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	5.30E+4	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