BindingDB logo
myBDB logout

null

SMILES: COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1

InChI Key: InChIKey=KOUKWUKZWNGEKD-UHFFFAOYSA-N

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 = 260380   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))		BDBM260380
PNG
(US9527838, 8)
Show SMILES COc1ccc(Sc2ccc(Sc3nncn3C)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1
Show InChI InChI=1S/C22H20N6O4S3/c1-28-12-24-27-22(28)35-17-9-8-16(33-14-5-3-13(32-2)4-6-14)19(25-17)20(31)26-21-23-11-15(34-21)7-10-18(29)30/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,29,30)(H,23,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 58.7n/an/an/an/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