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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM50107067'   
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
Thrombin


(Rattus norvegicus)
BDBM50107067
PNG
((S)-4-Oxo-2-phenylmethanesulfonyl-octahydro-pyrrol...)
Show SMILES N[C@H]1CC[C@H](CNC(=O)C2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C22H32N4O4S/c23-18-8-6-16(7-9-18)12-24-22(28)20-11-10-19-13-25(14-21(27)26(19)20)31(29,30)15-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15,23H2,(H,24,28)/t16-,18-,19-,20?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
100n/an/an/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the amidolytic activity of thrombin


Citation and Details
More data for this
Ligand-Target Pair