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SMILES: COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C

InChI Key: InChIKey=FNIYWISWAVWVEG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446429   

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 B (Homo sapiens (Human))	BDBM50446429 (CHEMBL3109964) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C Show InChI InChI=1S/C18H17N5O/c1-23-11-19-10-16(23)15-7-12-9-20-18(8-14(12)21-15)22-13-5-3-4-6-17(13)24-2/h3-11,21H,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+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 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))	BDBM50446429 (CHEMBL3109964) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C Show InChI InChI=1S/C18H17N5O/c1-23-11-19-10-16(23)15-7-12-9-20-18(8-14(12)21-15)22-13-5-3-4-6-17(13)24-2/h3-11,21H,1-2H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50446429 (CHEMBL3109964) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C Show InChI InChI=1S/C18H17N5O/c1-23-11-19-10-16(23)15-7-12-9-20-18(8-14(12)21-15)22-13-5-3-4-6-17(13)24-2/h3-11,21H,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+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 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
Aurora kinase A (Homo sapiens (Human))	BDBM50446429 (CHEMBL3109964) Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C Show InChI InChI=1S/C18H17N5O/c1-23-11-19-10-16(23)15-7-12-9-20-18(8-14(12)21-15)22-13-5-3-4-6-17(13)24-2/h3-11,21H,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+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 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