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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50250488   
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))
BDBM50250488
PNG
(CHEMBL4100970)
Show SMILES CCOC(=O)CCNC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H31ClN8O7/c1-2-49-29(44)14-16-35-33(48)38-26-5-3-4-25-24(26)15-17-41(30(25)31(45)37-23-10-6-20(7-11-23)32(46)47)28(43)13-8-21-18-22(34)9-12-27(21)42-19-36-39-40-42/h3-13,18-19,30H,2,14-17H2,1H3,(H,37,45)(H,46,47)(H2,35,38,48)/b13-8+
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MMDB

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PC cid
PC sid
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Article
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method


J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
BindingDB Entry DOI: 10.7270/Q2K64MHN
More data for this
Ligand-Target Pair