BDBM50173331 CHEMBL3809531

SMILES: COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1

InChI Key: InChIKey=XDILVFHMVAJWKP-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 = 50173331   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50173331 (CHEMBL3809531) Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1 Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+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 human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50173331 (CHEMBL3809531) Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1 Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50173331 (CHEMBL3809531) Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1 Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)	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	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins				J Med Chem 59: 3671-88 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair