new BindingDB logo
myBDB logout

BDBM50218583 CHEMBL81364

SMILES: [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O

InChI Key:

Data: 1 KI  6 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 7 hits for monomerid = 50218583   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
383n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


BindingDB Entry DOI: 10.7270/Q2H1347J
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 870n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 779-81 (2000)


BindingDB Entry DOI: 10.7270/Q2H1347J
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 240n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 241n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 10: 779-81 (2000)


BindingDB Entry DOI: 10.7270/Q2H1347J
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218583
PNG
(CHEMBL81364)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 241n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair