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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM50060040'   
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))
BDBM50060040
PNG
(3-[3-(4-Benzenesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O5S2/c31-29(32)25-10-6-7-22(19-25)20-28(33-41(37,38)27-14-13-23-8-4-5-9-24(23)21-27)30(36)34-15-17-35(18-16-34)42(39,40)26-11-2-1-3-12-26/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41n/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