BDBM260382 US9527838, 10

SMILES: CCOC(=O)CSc1cnc(NC(=O)c2nc(Nc3ccccn3)ccc2Sc2ccc(OC)cc2)s1

InChI Key: InChIKey=QBPSXFASBGEPBR-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 = 260382   

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))	BDBM260382 (US9527838, 10) Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Nc3ccccn3)ccc2Sc2ccc(OC)cc2)s1 Show InChI InChI=1S/C25H23N5O4S3/c1-3-34-21(31)15-35-22-14-27-25(37-22)30-24(32)23-18(36-17-9-7-16(33-2)8-10-17)11-12-20(29-23)28-19-6-4-5-13-26-19/h4-14H,3,15H2,1-2H3,(H,26,28,29)(H,27,30,32)	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	35.2	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