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BDBM50358861 CHEMBL1923446

SMILES: O=C(CN1CCC[C@H](NS(=O)(=O)c2cc3ccccc3s2)C1=O)N1CCCC1

InChI Key: InChIKey=SUXYCTRGOQXSNG-HNNXBMFYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358861   
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 X


(Homo sapiens (Human))
BDBM50358861
PNG
(CHEMBL1923446)
Show SMILES O=C(CN1CCC[C@H](NS(=O)(=O)c2cc3ccccc3s2)C1=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H23N3O4S2/c23-17(21-9-3-4-10-21)13-22-11-5-7-15(19(22)24)20-28(25,26)18-12-14-6-1-2-8-16(14)27-18/h1-2,6,8,12,15,20H,3-5,7,9-11,13H2/t15-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using phenyl-Ile-Glu-Gly-Arg-pNA as substrate preincubated for 3 mins prior to substrate addition by spectrophotometry


Bioorg Med Chem Lett 21: 7516-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.098
BindingDB Entry DOI: 10.7270/Q2MK6DBS
More data for this
Ligand-Target Pair