BDBM230931 US10188642, Example 57::US9334286, 57

SMILES: COc1cc(cnc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C

InChI Key: InChIKey=QKMIUTINIGDJBD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 230931   

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))	BDBM230931 (US10188642, Example 57 | US9334286, 57) Show SMILES COc1cc(cnc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-23(33(17)4)21-9-24(36-5)26(30-12-21)32-25-10-20-8-18(6-7-19(20)11-29-25)22-13-31-34(15-22)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,30,32)	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	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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230931 (US10188642, Example 57 | US9334286, 57) Show SMILES COc1cc(cnc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-23(33(17)4)21-9-24(36-5)26(30-12-21)32-25-10-20-8-18(6-7-19(20)11-29-25)22-13-31-34(15-22)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,30,32)	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 US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair