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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50280655   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin


(Bos taurus (Bovine))
BDBM50280655
PNG
(3-Isobutyryloxy-benzo[4,5]thieno[3,2-b]furan-2-car...)
Show SMILES COC(=O)c1oc2c(sc3ccccc23)c1OC(=O)C(C)C
Show InChI InChI=1S/C16H14O5S/c1-8(2)15(17)21-12-13(16(18)19-3)20-11-9-6-4-5-7-10(9)22-14(11)12/h4-8H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit 50% of 6 nM thrombin


Bioorg Med Chem Lett 2: 1025-1028 (1992)


Article DOI: 10.1016/S0960-894X(00)80611-3
BindingDB Entry DOI: 10.7270/Q2X066XV
More data for this
Ligand-Target Pair