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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 = 'BDBM50073290'   
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))
BDBM50073290
PNG
(4-{(S)-1-Benzyl-2-[bis-(2-methoxy-ethyl)-amino]-et...)
Show SMILES COCCN(CCOC)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C36H51FN6O5S/c1-47-22-20-42(21-23-48-2)27-32(24-29-6-4-3-5-7-29)40-33-13-17-39-26-35(33)49(45,46)41-34(25-30-8-10-31(38)11-9-30)36(44)43-18-14-28(12-16-37)15-19-43/h3-11,13,17,26,28,32,34,41H,12,14-16,18-25,27,38H2,1-2H3,(H,39,40)/t32-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for human thrombin.


Bioorg Med Chem Lett 8: 3583-8 (1999)


BindingDB Entry DOI: 10.7270/Q24B30GQ
More data for this
Ligand-Target Pair