BDBM260376 US9527838, 4

SMILES: COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(SC(C)(C)C(O)=O)s2)cc1

InChI Key: InChIKey=TYBGIAIXFHADOM-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 = 260376   

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))	BDBM260376 (US9527838, 4) Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(SC(C)(C)C(O)=O)s2)cc1 Show InChI InChI=1S/C23H22N6O4S4/c1-23(2,20(31)32)37-17-11-24-21(36-17)27-19(30)18-15(34-14-7-5-13(33-4)6-8-14)9-10-16(26-18)35-22-28-25-12-29(22)3/h5-12H,1-4H3,(H,31,32)(H,24,27,30)	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	65.1	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