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BDBM50358859 CHEMBL1923444

SMILES: Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCCN(CC(=O)N3CCCC3)C2=O)s1

InChI Key: InChIKey=GQZHRXJUCFEBCC-OIOXUXFSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358859   
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))
BDBM50358859
PNG
(CHEMBL1923444)
Show SMILES Clc1ccc(\C=C\S(=O)(=O)N[C@H]2CCCN(CC(=O)N3CCCC3)C2=O)s1 |r|
Show InChI InChI=1S/C17H22ClN3O4S2/c18-15-6-5-13(26-15)7-11-27(24,25)19-14-4-3-10-21(17(14)23)12-16(22)20-8-1-2-9-20/h5-7,11,14,19H,1-4,8-10,12H2/b11-7+/t14-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 61n/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