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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50189940   
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))
BDBM50189940
PNG
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)
Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair