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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 252.2
BDBM50022225

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50022225
PNG
(6-Imidazol-1-ylmethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2cc(Cn3ccnc3)ccc12
Show InChI InChI=1S/C15H12N2O2/c18-15(19)14-3-1-2-12-8-11(4-5-13(12)14)9-17-7-6-16-10-17/h1-8,10H,9H2,(H,18,19)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets


J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair