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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 = 'BDBM50113843'   
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))
BDBM50113843
PNG
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-[6-(2-py...)
Show SMILES Oc1ccc2c(Cc3ccc(OCCN4CCCC4)nc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-12-31(33-23-24)38-20-18-35-15-3-4-16-35)32(39-30(28)22-26)25-6-9-27(10-7-25)37-19-17-34-13-1-2-14-34/h5-12,22-23,36H,1-4,13-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
9.00E+3n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair