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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen activator inhibitor 1' and Ligand = 'BDBM50139557'   
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 activator inhibitor 1


(Homo sapiens (Human))
BDBM50139557
PNG
(6-(4-Carboxy-benzylamino)-3-nitro-2-[4-(3-trifluor...)
Show SMILES COC(=O)c1c(NCc2ccc(cc2)C(O)=O)ccc(c1N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C27H25F3N4O6/c1-40-26(37)23-21(31-16-17-5-7-18(8-6-17)25(35)36)9-10-22(34(38)39)24(23)33-13-11-32(12-14-33)20-4-2-3-19(15-20)27(28,29)30/h2-10,15,31H,11-14,16H2,1H3,(H,35,36)
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MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)


Bioorg Med Chem Lett 14: 761-5 (2004)


BindingDB Entry DOI: 10.7270/Q26T0M23
More data for this
Ligand-Target Pair