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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 = 'BDBM50272560'   
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))		BDBM50272560
PNG
(3-({(1S,2R)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C25H33N5O7S2/c1-15(31)21(30-39(36,37)14-17-4-3-5-19(12-17)25(34)35)24(33)29-20(10-11-38-2)23(32)28-13-16-6-8-18(9-7-16)22(26)27/h3-9,12,15,20-21,30-31H,10-11,13-14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,33)(H,34,35)/t15-,20+,21+/m1/s1
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Similars
Article
PubMed
 323n/an/an/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a

Bioorg Med Chem Lett 18: 4533-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.044
BindingDB Entry DOI: 10.7270/Q29G5MN3
More data for this
Ligand-Target Pair