BDBM50386821 CHEMBL2047948

SMILES: CCOC(=O)N1CCC(CC1)Nc1nc(Nc2ccc(cc2C)N2CCOCC2)nc2nc[nH]c12

InChI Key: InChIKey=HWGZHPRLTFSLRJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50386821   

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))	BDBM50386821 (CHEMBL2047948) Show SMILES CCOC(=O)N1CCC(CC1)Nc1nc(Nc2ccc(cc2C)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C24H32N8O3/c1-3-35-24(33)32-8-6-17(7-9-32)27-22-20-21(26-15-25-20)29-23(30-22)28-19-5-4-18(14-16(19)2)31-10-12-34-13-11-31/h4-5,14-15,17H,3,6-13H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis Inc. Curated by ChEMBL					Assay Description Inhibition of Mps1				Bioorg Med Chem Lett 22: 4377-85 (2012) Article DOI: 10.1016/j.bmcl.2012.04.131 BindingDB Entry DOI: 10.7270/Q2PZ59V9
					More data for this Ligand-Target Pair