BDBM50386842 CHEMBL2047970

SMILES: COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CCOCC1

InChI Key: InChIKey=ZUPXMFKTLSYZDB-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 = 50386842   

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))	BDBM50386842 (CHEMBL2047970) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N8O3/c1-38-23-17-21(35-11-9-19(10-12-35)27(37)36-13-15-39-16-14-36)7-8-22(23)32-28-33-25-24(29-18-30-25)26(34-28)31-20-5-3-2-4-6-20/h7-8,17-20H,2-6,9-16H2,1H3,(H3,29,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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