BDBM241332 US10479788, Example 176::US9409907, 176

SMILES: COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=WNPMOTKBIAYGBY-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 = 241332   

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))	BDBM241332 (US10479788, Example 176 | US11046688, Example 176 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C24H33N7O3S/c1-24(2,3)16-27-22-21-17(8-9-25-22)15-26-23(29-21)28-19-7-6-18(14-20(19)34-4)30-10-12-31(13-11-30)35(5,32)33/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)(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))	BDBM241332 (US10479788, Example 176 | US11046688, Example 176 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C24H33N7O3S/c1-24(2,3)16-27-22-21-17(8-9-25-22)15-26-23(29-21)28-19-7-6-18(14-20(19)34-4)30-10-12-31(13-11-30)35(5,32)33/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)(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))	BDBM241332 (US10479788, Example 176 | US11046688, Example 176 ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C24H33N7O3S/c1-24(2,3)16-27-22-21-17(8-9-25-22)15-26-23(29-21)28-19-7-6-18(14-20(19)34-4)30-10-12-31(13-11-30)35(5,32)33/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)(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