BDBM260392 US9527838, 20

SMILES: CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1

InChI Key: InChIKey=PUSDVRUNIUPAKD-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 260392   

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))	BDBM260392 (US9527838, 20) Show SMILES CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1 Show InChI InChI=1S/C25H25FN6O3S4/c1-5-35-22(34)25(2,3)13-36-19-12-27-23(39-19)30-21(33)20-17(37-16-8-6-15(26)7-9-16)10-11-18(29-20)38-24-31-28-14-32(24)4/h6-12,14H,5,13H2,1-4H3,(H,27,30,33)	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	16.9	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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