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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 = 'BDBM50069938'   
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))
BDBM50069938
PNG
(Boropeptide analogue | CHEMBL103077)
Show SMILES Cc1cc(C)cc(CCN(CC(=O)NC(CCCNC(N)=N)B(O)O)C(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C26H38BN5O4/c1-19-15-20(2)17-22(16-19)12-14-32(25(34)11-10-21-7-4-3-5-8-21)18-24(33)31-23(27(35)36)9-6-13-30-26(28)29/h3-5,7-8,15-17,23,35-36H,6,9-14,18H2,1-2H3,(H,31,33)(H4,28,29,30)
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.580n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was tested.


Bioorg Med Chem Lett 8: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2542MRM
More data for this
Ligand-Target Pair