BindingDB logo
myBDB logout

null

SMILES: O[C@H]1O[C@@](O)(CNC2=C(C#N)C(c3ccc(Cl)cc3)c3c(O2)[nH]c(=S)[nH]c3=O)[C@H](O)[C@H](O)[C@@H]1O

InChI Key:

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 = 50611335   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50611335
PNG
(CHEMBL5279318)
Show SMILES O[C@H]1O[C@@](O)(CNC2=C(C#N)C(c3ccc(Cl)cc3)c3c(O2)[nH]c(=S)[nH]c3=O)[C@H](O)[C@H](O)[C@@H]1O |r,c:7|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.66E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50611335
PNG
(CHEMBL5279318)
Show SMILES O[C@H]1O[C@@](O)(CNC2=C(C#N)C(c3ccc(Cl)cc3)c3c(O2)[nH]c(=S)[nH]c3=O)[C@H](O)[C@H](O)[C@@H]1O |r,c:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair