BDBM260406 US9527838, 34

SMILES: OC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1

InChI Key: InChIKey=LJCJTCIZJBJUIH-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 = 260406   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM260406 (US9527838, 34) Show SMILES OC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1 Show InChI InChI=1S/C22H15FN4O3S3/c23-13-4-6-15(7-5-13)32-16-8-9-18(33-17-3-1-2-10-24-17)26-20(16)21(30)27-22-25-14(12-31-22)11-19(28)29/h1-10,12H,11H2,(H,28,29)(H,25,27,30)	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	413	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
					More data for this Ligand-Target Pair