BDBM241316 US10479788, Example 160::US9409907, 160

SMILES: CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C

InChI Key: InChIKey=YGRNQCQROJTFCF-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 3 hits for monomerid = 241316   

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))	BDBM241316 (US10479788, Example 160 | US11046688, Example 160 ...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C Show InChI InChI=1S/C25H28N8O2/c1-4-35-20-10-17(22-31-27-15-32(22)3)5-6-19(20)29-24-26-11-18-9-16(2)28-23(21(18)30-24)33-12-25(13-33)7-8-34-14-25/h5-6,9-11,15H,4,7-8,12-14H2,1-3H3,(H,26,29,30)	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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241316 (US10479788, Example 160 | US11046688, Example 160 ...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C Show InChI InChI=1S/C25H28N8O2/c1-4-35-20-10-17(22-31-27-15-32(22)3)5-6-19(20)29-24-26-11-18-9-16(2)28-23(21(18)30-24)33-12-25(13-33)7-8-34-14-25/h5-6,9-11,15H,4,7-8,12-14H2,1-3H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241316 (US10479788, Example 160 | US11046688, Example 160 ...) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C Show InChI InChI=1S/C25H28N8O2/c1-4-35-20-10-17(22-31-27-15-32(22)3)5-6-19(20)29-24-26-11-18-9-16(2)28-23(21(18)30-24)33-12-25(13-33)7-8-34-14-25/h5-6,9-11,15H,4,7-8,12-14H2,1-3H3,(H,26,29,30)	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 US10479788 (2019) BindingDB Entry DOI: 10.7270/Q2BP055X
					More data for this Ligand-Target Pair