BindingDB logo
myBDB logout

null

SMILES: COC[C@H](C)Oc1cc(CCc2ccc(F)cc2F)cc(c1)C(=O)Nc1ccn(C)n1

InChI Key: InChIKey=UJMGLCKQJJRDLB-HNNXBMFYSA-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 = 50424367   
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))		BDBM50424367
PNG
(CHEMBL2314807)
Show SMILES COC[C@H](C)Oc1cc(CCc2ccc(F)cc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r|
Show InChI InChI=1S/C23H25F2N3O3/c1-15(14-30-3)31-20-11-16(4-5-17-6-7-19(24)13-21(17)25)10-18(12-20)23(29)26-22-8-9-28(2)27-22/h6-13,15H,4-5,14H2,1-3H3,(H,26,27,29)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 184n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration

Bioorg Med Chem Lett 23: 537-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ
More data for this
Ligand-Target Pair