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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.5
BDBM50514085

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50514085
PNG
(CHEMBL4456758)
Show SMILES NCCCCCC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O3/c26-17-7-2-5-12-23(30)29-22(11-6-8-18-27)25(32)28-21-15-13-20(14-16-21)24(31)19-9-3-1-4-10-19/h1,3-4,9-10,13-16,22H,2,5-8,11-12,17-18,26-27H2,(H,28,32)(H,29,30)/t22-/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) assessed as reduction in amidolytic activity using S-2251 as the substrate after 4 mins


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