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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Ligand = 'BDBM41095'   
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


(Bos taurus (Bovine))
BDBM41095
PNG
(5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
Show InChI InChI=1S/C24H19N3O5/c1-29-22-12-15(11-16(13-25)23-26-18-5-3-4-6-19(18)27-23)7-9-20(22)31-14-17-8-10-21(32-17)24(28)30-2/h3-12H,14H2,1-2H3,(H,26,27)/b16-11+
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PC sid
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PCBioAssay
n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair