BDBM260375 US9527838, 3

SMILES: CNC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1

InChI Key: InChIKey=GTAPSBIJYKHRHP-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 = 260375   

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))	BDBM260375 (US9527838, 3) Show SMILES CNC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1 Show InChI InChI=1S/C22H21N7O3S4/c1-23-16(30)11-33-18-10-24-21(36-18)27-20(31)19-15(34-14-6-4-13(32-3)5-7-14)8-9-17(26-19)35-22-28-25-12-29(22)2/h4-10,12H,11H2,1-3H3,(H,23,30)(H,24,27,31)	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	10.8	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
					More data for this Ligand-Target Pair