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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 = 'BDBM50193238'   
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))
BDBM50193238
PNG
(CHEMBL213120 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-25(2,3)21(29-15-20(32)33)23(34)31-26(12-18-6-4-5-7-19(18)13-26)24(35)30-14-16-8-10-17(11-9-16)22(27)28/h4-11,21,29H,12-15H2,1-3H3,(H3,27,28)(H,30,35)(H,31,34)(H,32,33)/t21-/m0/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair