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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 = 'BDBM50081157'   
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))
BDBM50081157
PNG
((S)-1-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H34N6O7S/c1-2-36-21(33)23(27-37(34,35)15-16-8-4-3-5-9-16)11-7-12-28(20(23)32)14-18(30)26-17-10-6-13-29(19(17)31)22(24)25/h3-5,8-9,17,19,27,31H,2,6-7,10-15H2,1H3,(H3,24,25)(H,26,30)/t17-,19?,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Evaluation of inhibition of transition state thrombin


Bioorg Med Chem Lett 9: 2625-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D3W
More data for this
Ligand-Target Pair