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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50093141   
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))
BDBM50093141
PNG
(CHEMBL306537 | Pentanedioic acid 4-aminomethyl-ben...)
Show SMILES NCc1ccc(CNC(=O)CCCC(=O)NCc2ccc(CNC(=O)CCCC(=O)NCc3ccc(CN)cc3)cc2)cc1
Show InChI InChI=1S/C34H44N6O4/c35-19-25-7-11-27(12-8-25)21-37-31(41)3-1-5-33(43)39-23-29-15-17-30(18-16-29)24-40-34(44)6-2-4-32(42)38-22-28-13-9-26(20-36)10-14-28/h7-18H,1-6,19-24,35-36H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory potency against thrombin


Bioorg Med Chem Lett 10: 2357-60 (2001)


Article DOI: 10.1016/s0960-894x(00)00484-4
BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair