BDBM260387 US9527838, 15

SMILES: COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1

InChI Key: InChIKey=SZYQPCWDTBUONO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 260387   

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
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human))	BDBM260387 (US9527838, 15) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1 Show InChI InChI=1S/C24H20N4O4S3/c1-32-15-5-7-16(8-6-15)33-18-10-11-20(35-19-4-2-3-13-25-19)27-22(18)23(31)28-24-26-14-17(34-24)9-12-21(29)30/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30)(H,26,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. Curated by ChEMBL					Assay Description Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...				Bioorg Med Chem Lett 27: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					More data for this Ligand-Target Pair
FLAG-Glucokinase (GK) (Homo sapiens (Human))	BDBM260387 (US9527838, 15) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1 Show InChI InChI=1S/C24H20N4O4S3/c1-32-15-5-7-16(8-6-15)33-18-10-11-20(35-19-4-2-3-13-25-19)27-22(18)23(31)28-24-26-14-17(34-24)9-12-21(29)30/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30)(H,26,28,31)	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	140	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