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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50107471'   
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 and coagulation factor X


(Homo sapiens (Human))
BDBM50107471
PNG
((S)-1-[2-(Naphthalene-2-sulfonylamino)-acetyl]-pyr...)
Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H30N6O4S/c23-22(24)26-12-4-3-11-25-21(30)19-8-5-13-28(19)20(29)15-27-33(31,32)18-10-9-16-6-1-2-7-17(16)14-18/h1-2,6-7,9-10,14,19,27H,3-5,8,11-13,15H2,(H,25,30)(H4,23,24,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin


Bioorg Med Chem Lett 12: 45-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair