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BDBM50324782 (3R,4R)-N3-(5-chlorothiophen-2-yl)-1-(2,2-difluoroethyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1222224

SMILES: FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)s1

InChI Key: InChIKey=NDIKHEHHIUTSGE-GJZGRUSLSA-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 = 50324782   
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))
BDBM50324782
PNG
((3R,4R)-N3-(5-chlorothiophen-2-yl)-1-(2,2-difluoro...)
Show SMILES FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C23H20ClF3N4O3S/c24-18-6-7-20(35-18)29-23(34)15-11-30(12-19(26)27)10-14(15)22(33)28-17-5-4-13(9-16(17)25)31-8-2-1-3-21(31)32/h1-9,14-15,19H,10-12H2,(H,28,33)(H,29,34)/t14-,15-/m0/s1
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MMDB

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PC cid
PC sid
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Article
PubMed
36n/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