BDBM241322 US9409907, 166

SMILES: COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cncn1C

InChI Key: InChIKey=NPKJUJBBICRLJS-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 = 241322   

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))	BDBM241322 (US9409907, 166) Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cncn1C Show InChI InChI=1S/C22H26N8O2/c1-22(2,32-5)12-26-19-18-14(8-9-24-19)10-25-21(29-18)28-16-7-6-15(27-20(16)31-4)17-11-23-13-30(17)3/h6-11,13H,12H2,1-5H3,(H,24,26)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9409907 (2016) BindingDB Entry DOI: 10.7270/Q2C24VB2
					More data for this Ligand-Target Pair