BDBM50386818 CHEMBL2047945

SMILES: Cc1cc(ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1

InChI Key: InChIKey=UFOPXKNUBMAMSC-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 = 50386818   

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))	BDBM50386818 (CHEMBL2047945) Show SMILES Cc1cc(ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C23H30N6O/c1-16-13-18(29-9-11-30-12-10-29)7-8-19(16)26-23-27-20(14-17-5-3-2-4-6-17)21-22(28-23)25-15-24-21/h7-8,13,15,17H,2-6,9-12,14H2,1H3,(H2,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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