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BDBM50324793 (3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(3-oxomorpholino)phenyl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221490

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)N1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=VNSXBTWIXQCLCC-ROUUACIJSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324793   
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))
BDBM50324793
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(3-oxom...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)N1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H24ClFN4O6S/c1-36(33,34)28-11-17(22(31)26-15-4-2-14(24)3-5-15)18(12-28)23(32)27-20-7-6-16(10-19(20)25)29-8-9-35-13-21(29)30/h2-7,10,17-18H,8-9,11-13H2,1H3,(H,26,31)(H,27,32)/t17-,18-/m0/s1
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MMDB

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Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair