BDBM241278 US10479788, Example 120::US9409907, 120

SMILES: COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOC4)c2n1)-c1cnn(C)c1

InChI Key: InChIKey=XPKFWHXZVLANAC-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 = 241278   

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))	BDBM241278 (US10479788, Example 120 | US11046688, Example 120 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOC4)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-13-24(14-31)6-8-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)	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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241278 (US10479788, Example 120 | US11046688, Example 120 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOC4)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-13-24(14-31)6-8-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)	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))	BDBM241278 (US10479788, Example 120 | US11046688, Example 120 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOC4)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-13-24(14-31)6-8-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)	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	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