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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50011254'   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50011254
PNG
(CHEMBL3260342)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@@H](c3cc-2ccn3)n2ccc(cc2=O)-c2c(F)ccc(Cl)c2F)c1 |r|
Show InChI InChI=1S/C30H25ClF2N4O4/c1-41-30(40)35-19-6-7-20-17-10-12-34-24(14-17)25(4-2-3-5-26(38)36-23(20)16-19)37-13-11-18(15-27(37)39)28-22(32)9-8-21(31)29(28)33/h6-16,25H,2-5H2,1H3,(H,35,40)(H,36,38)/t25-/m0/s1
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Similars

Article
PubMed
0.980n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 20 to 180 mins


ACS Med Chem Lett 5: 286-7 (2014)


Article DOI: 10.1021/ml500084u
BindingDB Entry DOI: 10.7270/Q2J67JFR
More data for this
Ligand-Target Pair