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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tissue-type plasminogen activator' and Ligand = 'BDBM50131462'   
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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50131462
PNG
((S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaa...)
Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O
Show InChI InChI=1S/C27H32ClN5O3/c28-24-18-31-26-27(35)33(24)19-25(34)30-16-21-11-5-6-12-23(21)36-14-8-2-7-13-29-17-22(32-26)15-20-9-3-1-4-10-20/h1,3-6,9-12,18,22,29H,2,7-8,13-17,19H2,(H,30,34)(H,31,32)/t22-/m0/s1
PDB
MMDB

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Similars

PubMed
360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Tissue plasminogen activator


Bioorg Med Chem Lett 13: 2781-4 (2003)


BindingDB Entry DOI: 10.7270/Q2GF0V2P
More data for this
Ligand-Target Pair