BDBM241283 US10479788, Example 125::US9409907, 125

SMILES: COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1

InChI Key: InChIKey=MSIUXMHCDVIXKH-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 = 241283   

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))	BDBM241283 (US10479788, Example 125 | US11046688, Example 125 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H27N7O2/c1-15(18-7-9-33-14-18)28-23-22-17(6-8-25-23)11-26-24(30-22)29-20-5-4-16(10-21(20)32-3)19-12-27-31(2)13-19/h4-6,8,10-13,15,18H,7,9,14H2,1-3H3,(H,25,28)(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))	BDBM241283 (US10479788, Example 125 | US11046688, Example 125 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H27N7O2/c1-15(18-7-9-33-14-18)28-23-22-17(6-8-25-23)11-26-24(30-22)29-20-5-4-16(10-21(20)32-3)19-12-27-31(2)13-19/h4-6,8,10-13,15,18H,7,9,14H2,1-3H3,(H,25,28)(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))	BDBM241283 (US10479788, Example 125 | US11046688, Example 125 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H27N7O2/c1-15(18-7-9-33-14-18)28-23-22-17(6-8-25-23)11-26-24(30-22)29-20-5-4-16(10-21(20)32-3)19-12-27-31(2)13-19/h4-6,8,10-13,15,18H,7,9,14H2,1-3H3,(H,25,28)(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