BDBM323680 US10188642, Example 70

SMILES: COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc2CN(C)CCn12

InChI Key: InChIKey=XUQXKKZSSJWZLG-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 = 323680   

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))	BDBM323680 (US10188642, Example 70) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc2CN(C)CCn12 Show InChI InChI=1S/C30H33N7O2/c1-30(2,38)19-36-17-24(15-33-36)20-5-6-22-14-31-28(13-23(22)11-20)34-25-8-7-21(12-27(25)39-4)26-16-32-29-18-35(3)9-10-37(26)29/h5-8,11-17,38H,9-10,18-19H2,1-4H3,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
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 US10188642 (2019) BindingDB Entry DOI: 10.7270/Q2D50Q2N
					More data for this Ligand-Target Pair