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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50079380'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen


(Homo sapiens (Human))
BDBM50079380
PNG
(3-[Bis-(6-amino-hexyl)-amino]-tetrahydro-thiopyran...)
Show SMILES NCCCCCCN(CCCCCCN)C1CSCCC1=O
Show InChI InChI=1S/C17H35N3OS/c18-10-5-1-3-7-12-20(13-8-4-2-6-11-19)16-15-22-14-9-17(16)21/h16H,1-15,18-19H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using D-Val-Leu-Lys-pNA as substrate


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50079380
PNG
(3-[Bis-(6-amino-hexyl)-amino]-tetrahydro-thiopyran...)
Show SMILES NCCCCCCN(CCCCCCN)C1CSCCC1=O
Show InChI InChI=1S/C17H35N3OS/c18-10-5-1-3-7-12-20(13-8-4-2-6-11-19)16-15-22-14-9-17(16)21/h16H,1-15,18-19H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against plasmin


J Med Chem 42: 2969-76 (1999)


Article DOI: 10.1021/jm990110k
BindingDB Entry DOI: 10.7270/Q2WM1CMW
More data for this
Ligand-Target Pair