new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM50060015'   
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


(Bos taurus (Bovine))
BDBM50060015
PNG
(3-[3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(napht...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair