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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 = 'BDBM50337467'   
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))
BDBM50337467
PNG
(2-(2-(5-chloro-4-(2-(5-chloro-2-methylbenzylamino)...)
Show SMILES Cc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O
Show InChI InChI=1S/C21H21Cl2N5O3/c1-14-5-6-16(22)10-15(14)11-25-19(29)13-27-18(23)12-26-20(21(27)30)24-8-7-17-4-2-3-9-28(17)31/h2-6,9-10,12H,7-8,11,13H2,1H3,(H,24,26)(H,25,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
More data for this
Ligand-Target Pair