BDBM241228 US10479788, Example 70::US9409907, 70

SMILES: COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1

InChI Key: InChIKey=MNBYYPQDBOJYDG-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 241228   

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))	BDBM241228 (US10479788, Example 70 | US11046688, Example 70 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	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))	BDBM241228 (US10479788, Example 70 | US11046688, Example 70 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	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) BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241228 (US10479788, Example 70 | US11046688, Example 70 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	61	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))	BDBM241228 (US10479788, Example 70 | US11046688, Example 70 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM241228 (US10479788, Example 70 | US11046688, Example 70 | ...) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	46	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) BindingDB Entry DOI: 10.7270/Q2DZ0B6T
					More data for this Ligand-Target Pair