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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 = 'BDBM50122188'   
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))
BDBM50122188
PNG
(CHEMBL42091 | N-(2,5-Dichloro-benzyl)-2-(6-methyl-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H21Cl2N3O4S/c1-15-7-10-20(26-32(30,31)14-16-5-3-2-4-6-16)22(29)27(15)13-21(28)25-12-17-11-18(23)8-9-19(17)24/h2-11,26H,12-14H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human plasma


Bioorg Med Chem Lett 13: 161-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00946-0
BindingDB Entry DOI: 10.7270/Q2348JQ0
More data for this
Ligand-Target Pair