BDBM50386836 CHEMBL2047964

SMILES: COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)c1ccccn1

InChI Key: InChIKey=XZELASLITFXWTA-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 = 50386836   

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))	BDBM50386836 (CHEMBL2047964) Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C28H33N9O2/c1-39-23-17-20(36-13-15-37(16-14-36)27(38)22-9-5-6-12-29-22)10-11-21(23)33-28-34-25-24(30-18-31-25)26(35-28)32-19-7-3-2-4-8-19/h5-6,9-12,17-19H,2-4,7-8,13-16H2,1H3,(H3,30,31,32,33,34,35)	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