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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.7
BDBM50024918

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


(Rattus norvegicus)
BDBM50024918
PNG
(2-Amino-5-chloro-N-(3-imidazol-1-yl-butyl)-benzami...)
Show SMILES CC(CCNC(=O)c1cc(Cl)ccc1N)n1ccnc1
Show InChI InChI=1S/C14H17ClN4O/c1-10(19-7-6-17-9-19)4-5-18-14(20)12-8-11(15)2-3-13(12)16/h2-3,6-10H,4-5,16H2,1H3,(H,18,20)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair