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SMILES: COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1

InChI Key: InChIKey=OPRFPXSJYIUWOX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 241248   

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))	BDBM241248 (US11046688, Example 90 | US9409907, 90) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H26N6OS/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)31-2)28-24-26-13-17-10-11-25-23(22(17)29-24)32-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(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	234	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))	BDBM241248 (US11046688, Example 90 | US9409907, 90) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H26N6OS/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)31-2)28-24-26-13-17-10-11-25-23(22(17)29-24)32-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(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	234	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2KX2
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM241248 (US11046688, Example 90 | US9409907, 90) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H26N6OS/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)31-2)28-24-26-13-17-10-11-25-23(22(17)29-24)32-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241248 (US11046688, Example 90 | US9409907, 90) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C24H26N6OS/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)31-2)28-24-26-13-17-10-11-25-23(22(17)29-24)32-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...				J Med Chem 59: 3671-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01811 BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair