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BDBM50090608 2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-yl]-N-[2-(1-methyl-1H-pyrrol-2-yl)-ethyl]-acetamide::CHEMBL45616

SMILES: Cn1cccc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1

InChI Key: InChIKey=LYUPMGXLNJDWOT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090608   
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))
BDBM50090608
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cccc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H23ClN4O4S2/c1-24-8-2-3-17(24)6-7-23-19(27)13-25-9-10-26(14-20(25)28)32(29,30)21-11-15-4-5-16(22)12-18(15)31-21/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,23,27)
PDB
MMDB

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PC sid
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Similars

PubMed
>1.20E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
More data for this
Ligand-Target Pair