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SMILES: CCOc1cc2c(n[nH]c2cc1-c1ccccc1)-c1cccc(c1)S(N)(=O)=O

InChI Key: InChIKey=XFOJMXXNZBEGDH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433909   

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))	BDBM50433909 (CHEMBL2380580) Show SMILES CCOc1cc2c(n[nH]c2cc1-c1ccccc1)-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA				J Med Chem 56: 4343-56 (2013) Article DOI: 10.1021/jm4000215 BindingDB Entry DOI: 10.7270/Q2SF2XJB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50433909 (CHEMBL2380580) Show SMILES CCOc1cc2c(n[nH]c2cc1-c1ccccc1)-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs				J Med Chem 56: 4343-56 (2013) Article DOI: 10.1021/jm4000215 BindingDB Entry DOI: 10.7270/Q2SF2XJB
					More data for this Ligand-Target Pair