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BDBM50218582 CHEMBL123993

SMILES: NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O

InChI Key:

Data: 4 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 4 hits for monomerid = 50218582   
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))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
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 0n/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
Trypsin-1


(Homo sapiens (Human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 272n/an/an/an/an/an/a



Ernst-Moritz-Arndt-University

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


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


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


(Homo sapiens (Human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
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 409n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50218582
PNG
(CHEMBL123993)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 54.6n/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