BDBM260420 US9527838, 48

SMILES: COC(=O)CCc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1

InChI Key: InChIKey=AXMNQSYJEVQDRN-UHFFFAOYSA-N

Data: 1 EC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260420   

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
FLAG-Glucokinase (GK) (Homo sapiens (Human))	BDBM260420 (US9527838, 48) Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1 Show InChI InChI=1S/C23H19F3N6O3S3/c1-32-12-28-31-22(32)38-17-9-8-16(36-14-5-3-13(4-6-14)23(24,25)26)19(29-17)20(34)30-21-27-11-15(37-21)7-10-18(33)35-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,27,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	71.8	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...				US Patent US9527838 (2016) BindingDB Entry DOI: 10.7270/Q2RV0MN1
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