BDBM50446436 CHEMBL3109952

SMILES: C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1

InChI Key: InChIKey=XSLQRBBJXSFSGV-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 = 50446436   

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))	BDBM50446436 (CHEMBL3109952) Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+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 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))	BDBM50446436 (CHEMBL3109952) Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	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))	BDBM50446436 (CHEMBL3109952) Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)	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	230	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))	BDBM50446436 (CHEMBL3109952) Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)	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	8.10E+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