BDBM50446468 CHEMBL3109954

SMILES: CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1

InChI Key: InChIKey=BEUXYMIIIBPCKC-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 = 50446468   

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 2 (CDK2) (Homo sapiens (Human))	BDBM50446468 (CHEMBL3109954) Show SMILES CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)	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	8.90E+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 B (Homo sapiens (Human))	BDBM50446468 (CHEMBL3109954) Show SMILES CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)	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))	BDBM50446468 (CHEMBL3109954) Show SMILES CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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
Aurora kinase A (Homo sapiens (Human))	BDBM50446468 (CHEMBL3109954) Show SMILES CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)	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	8.50E+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