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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 = 'BDBM408775'   
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))		BDBM408775
PNG
( N-{[2-(difluoromethyl)-6-fluoro-3-methoxyphenyl]m...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1C(F)F
Show InChI InChI=1S/C28H27F3N4O4/c1-38-17-23-21(28(37)32-13-20-22(29)10-11-24(39-2)26(20)27(30)31)16-35(33-23)15-19-8-6-18(7-9-19)14-34-12-4-3-5-25(34)36/h3-12,16,27H,13-15,17H2,1-2H3,(H,32,37)
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n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair