BindingDB logo
myBDB logout

BDBM50338684 (R/S)-(E)-2-(5-chlorothiophen-2-yl)-N-((3S)-1-(2-fluoro-4-(1-methylpyrrolidin-2-yl)phenyl)-2-oxopyrrolidin-3-yl)ethenesulfonamide::CHEMBL1684186

SMILES: CN1CCCC1c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1

InChI Key: InChIKey=LGHRRVYHXUIPQX-IOVSNWOCSA-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 = 50338684   
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))
BDBM50338684
PNG
((R/S)-(E)-2-(5-chlorothiophen-2-yl)-N-((3S)-1-(2-f...)
Show SMILES CN1CCCC1c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r|
Show InChI InChI=1S/C21H23ClFN3O3S2/c1-25-10-2-3-18(25)14-4-6-19(16(23)13-14)26-11-8-17(21(26)27)24-31(28,29)12-9-15-5-7-20(22)30-15/h4-7,9,12-13,17-18,24H,2-3,8,10-11H2,1H3/b12-9+/t17-,18?/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
15n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate


Bioorg Med Chem Lett 21: 1582-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.131
BindingDB Entry DOI: 10.7270/Q28052WG
More data for this
Ligand-Target Pair