BindingDB logo
myBDB logout

BDBM50127732 (E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4'-methoxy-biphenyl-4-ylmethoxy)-benzo[b]thiophen-2-yl]-2-pyridin-4-yl-acrylic acid::CHEMBL295222

SMILES: COc1ccc(cc1)-c1ccc(COc2cc3sc(\C=C(\C(O)=O)c4ccncc4)c(Oc4ccc(Cl)cc4)c3cc2OCc2ccc(cc2)-c2ccc(OC)cc2)cc1

InChI Key: InChIKey=DCKVXYFGKBFBQG-PNHGISFSSA-N

Data: 1 IC50

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 = 50127732   
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127732
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4'-methoxy-bi...)
Show SMILES COc1ccc(cc1)-c1ccc(COc2cc3sc(\C=C(\C(O)=O)c4ccncc4)c(Oc4ccc(Cl)cc4)c3cc2OCc2ccc(cc2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C50H38ClNO7S/c1-55-40-17-11-36(12-18-40)34-7-3-32(4-8-34)30-57-45-27-44-47(29-46(45)58-31-33-5-9-35(10-6-33)37-13-19-41(56-2)20-14-37)60-48(49(44)59-42-21-15-39(51)16-22-42)28-43(50(53)54)38-23-25-52-26-24-38/h3-29H,30-31H2,1-2H3,(H,53,54)/b43-28+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 140n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair