BDBM260416 US9527838, 44

SMILES: Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1ncc(SCC(O)=O)s1

InChI Key: InChIKey=XFFFGNVMXDFYCM-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 = 260416   

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))	BDBM260416 (US9527838, 44) Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(cc2)C(F)(F)F)c(n1)C(=O)Nc1ncc(SCC(O)=O)s1 Show InChI InChI=1S/C21H15F3N6O3S4/c1-30-10-26-29-20(30)36-14-7-6-13(35-12-4-2-11(3-5-12)21(22,23)24)17(27-14)18(33)28-19-25-8-16(37-19)34-9-15(31)32/h2-8,10H,9H2,1H3,(H,31,32)(H,25,28,33)	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	33.7	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