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Compile Data Set for Download or QSAR

Found 1 hit from Central Washington University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (human))
BDBM50041990
PNG
(CHEMBL3359538)
Show SMILES Cl.NC(=N)NCCCCNC(=O)Oc1c(Br)cc(O)c(CC(O)=O)c1Br
Show InChI InChI=1S/C14H18Br2N4O5.ClH/c15-8-6-9(21)7(5-10(22)23)11(16)12(8)25-14(24)20-4-2-1-3-19-13(17)18;/h6,21H,1-5H2,(H,20,24)(H,22,23)(H4,17,18,19);1H
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Central Washington University

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a pre-incubated for 15 mins before substrate S2366 addition and measured after 2 hrs post substrate addition


J Nat Prod 78: 120-4 (2015)


Article DOI: 10.1021/np500772u
BindingDB Entry DOI: 10.7270/Q2SX6FTG
More data for this
Ligand-Target Pair