BDBM50386835 CHEMBL2047963

SMILES: CNC(=O)C(=O)N1CCN(CC1)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)c(OC)c1

InChI Key: InChIKey=GGDQYCPLGJVXCA-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 = 50386835   

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))	BDBM50386835 (CHEMBL2047963) Show SMILES CNC(=O)C(=O)N1CCN(CC1)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)c(OC)c1 Show InChI InChI=1S/C25H33N9O3/c1-26-23(35)24(36)34-12-10-33(11-13-34)17-8-9-18(19(14-17)37-2)30-25-31-21-20(27-15-28-21)22(32-25)29-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,26,35)(H3,27,28,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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