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BDBM50324780 (3R,4R)-N3-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-N4-(1H-indazol-5-yl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1222222

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=IMNJNDCBMAYSSM-OALUTQOASA-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 = 50324780   
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))
BDBM50324780
PNG
((3R,4R)-N3-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phen...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C25H23FN6O5S/c1-38(36,37)31-13-18(24(34)28-16-5-7-21-15(10-16)12-27-30-21)19(14-31)25(35)29-22-8-6-17(11-20(22)26)32-9-3-2-4-23(32)33/h2-12,18-19H,13-14H2,1H3,(H,27,30)(H,28,34)(H,29,35)/t18-,19-/m0/s1
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MMDB

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Similars

Article
PubMed
1.25E+3n/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