BindingDB logo
myBDB logout

BDBM50324772 (3R,4R)-N3-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-N4-(1H-indol-5-yl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221968

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc2[nH]ccc2c1

InChI Key: InChIKey=UCWMRADCFYBXOK-PMACEKPBSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324772   
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))
BDBM50324772
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]ccc2c1 |r|
Show InChI InChI=1S/C26H24FN5O5S/c1-38(36,37)31-14-19(25(34)29-17-5-7-22-16(12-17)9-10-28-22)20(15-31)26(35)30-23-8-6-18(13-21(23)27)32-11-3-2-4-24(32)33/h2-13,19-20,28H,14-15H2,1H3,(H,29,34)(H,30,35)/t19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
345n/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