BDBM50386834 CHEMBL2047962

SMILES: COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)N1CCN(C)CC1

InChI Key: InChIKey=VFAIFTLUNPEWAJ-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 = 50386834   

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))	BDBM50386834 (CHEMBL2047962) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N10O2/c1-35-10-12-37(13-11-35)28(39)38-16-14-36(15-17-38)21-8-9-22(23(18-21)40-2)32-27-33-25-24(29-19-30-25)26(34-27)31-20-6-4-3-5-7-20/h8-9,18-20H,3-7,10-17H2,1-2H3,(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	3	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