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BDBM50402969 CHEMBL2206821

InChI string: InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1

SMILES: O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c2ccccc2)[C@H]1O

InChI Key: InChIKey=YGVFJBBOHDKSJL-FUMNGEBKSA-N

Data: 2 KI

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 = 50402969   
Target
(Institution)
LigandTarget
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
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens)
BDBM50402969
PNG
(CHEMBL2206821)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
PDB
MMDB

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KEGG

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
440n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)

More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Homo sapiens (Human))
BDBM50402969
PNG
(CHEMBL2206821)
Show SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14-4-2-1-3-5-14)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18+,19+,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.47E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)

More data for this
Ligand-Target Pair