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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM50107066'   
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)
BDBM50107066
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C24H34N6O3/c25-24(26)28-12-10-18(11-13-28)14-27-23(33)20-8-7-19-15-29(16-22(32)30(19)20)21(31)9-6-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H3,25,26)(H,27,33)/t19-,20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
180n/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