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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50017933'   
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))
BDBM50017933
PNG
(CHEMBL3289299)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1 |r,wU:25.26,wD:28.30,(12.19,1.09,;12.19,-.45,;10.85,-1.22,;9.52,-.45,;8.19,-1.22,;8.19,-2.76,;6.85,-3.53,;6.85,-5.07,;5.52,-5.84,;5.52,-7.38,;4.19,-8.15,;2.85,-7.38,;1.52,-8.15,;.18,-7.38,;.18,-5.84,;-1.15,-5.07,;-2.48,-5.84,;1.52,-5.07,;2.85,-5.84,;6.85,-8.15,;8.19,-7.38,;8.19,-5.84,;9.52,-8.15,;9.52,-9.69,;10.85,-7.38,;12.19,-8.15,;13.52,-7.38,;14.86,-8.15,;14.86,-9.69,;16.19,-10.46,;13.52,-10.46,;12.19,-9.69,;9.52,-3.53,;10.85,-2.76,)|
Show InChI InChI=1S/C27H32N4O3/c28-16-18-1-9-23(10-2-18)33-25-13-20(27(32)31-22-7-5-21(30)6-8-22)14-26(15-25)34-24-11-3-19(17-29)4-12-24/h1-4,9-15,21-22H,5-8,16-17,28-30H2,(H,31,32)/t21-,22-
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MMDB

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0n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl


Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair