BDBM260386 US9527838, 14

SMILES: COC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)s1

InChI Key: InChIKey=IPDCJLYAHKQSOK-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 = 260386   

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))	BDBM260386 (US9527838, 14) Show SMILES COC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)s1 Show InChI InChI=1S/C25H22N4O4S3/c1-32-16-6-8-17(9-7-16)34-19-11-12-21(36-20-5-3-4-14-26-20)28-23(19)24(31)29-25-27-15-18(35-25)10-13-22(30)33-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,27,29,31)	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	290	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