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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50165514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50165514
PNG
(CHEMBL380813 | Naphthalene-1-carboxylic acid (7-ca...)
Show SMILES COc1ccc(CCN(Cc2ccc3ccc(cc3c2)C(N)=N)C(=O)c2cccc3ccccc23)cc1OC
Show InChI InChI=1S/C33H31N3O3/c1-38-30-15-11-22(19-31(30)39-2)16-17-36(33(37)29-9-5-7-25-6-3-4-8-28(25)29)21-23-10-12-24-13-14-26(32(34)35)20-27(24)18-23/h3-15,18-20H,16-17,21H2,1-2H3,(H3,34,35)
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PC cid
PC sid
UniChem
Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant towards human thrombin


Bioorg Med Chem Lett 15: 2249-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.019
BindingDB Entry DOI: 10.7270/Q2V40W0H
More data for this
Ligand-Target Pair