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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50129976   
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))
BDBM50129976
PNG
(4-{4-Methyl-3-oxo-7-[1-(pyrrolidine-1-carbonyl)-cy...)
Show SMILES Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H27N5O2/c1-29-21-9-8-18(25(10-11-25)24(32)30-12-2-3-13-30)15-19(21)28-20(23(29)31)14-16-4-6-17(7-5-16)22(26)27/h4-9,15H,2-3,10-14H2,1H3,(H3,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 2297-302 (2003)


Article DOI: 10.1016/s0960-894x(03)00443-8
BindingDB Entry DOI: 10.7270/Q2KS6QXW
More data for this
Ligand-Target Pair