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BDBM50324790 (3R,4R)-N3-(4-chlorophenyl)-N4-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1222344

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=RGIKQMZOIDTLMK-SFTDATJTSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50324790   
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))
BDBM50324790
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(3-fluoro-2'-(methy...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H25ClFN3O6S2/c1-38(34,35)24-6-4-3-5-19(24)16-7-12-23(22(28)13-16)30-26(33)21-15-31(39(2,36)37)14-20(21)25(32)29-18-10-8-17(27)9-11-18/h3-13,20-21H,14-15H2,1-2H3,(H,29,32)(H,30,33)/t20-,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
40n/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