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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50046919   
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))
BDBM50138836
PNG
(CHEMBL3754193)
Show SMILES CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1 |r|
Show InChI InChI=1S/C29H36N4O3/c1-2-3-4-5-17-32-29(35)27(33-28(34)25-12-8-23(19-30)9-13-25)18-22-10-14-26(15-11-22)36-21-24-7-6-16-31-20-24/h6-16,20,27H,2-5,17-19,21,30H2,1H3,(H,32,35)(H,33,34)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human plasmin assessed as inhibition of amidolysis in presence of fibrinogen


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50428067
PNG
(CL-65336 | Cyklokapron | Lysteda | TRANEXAMIC ACID...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:5.8,wD:2.1,(1.2,4.21,;-.14,3.44,;-.14,1.9,;-1.47,1.13,;-1.47,-.41,;-.14,-1.18,;1.2,-.41,;1.2,1.13,;-.14,-2.72,;-1.47,-3.49,;1.2,-3.49,)|
Show InChI InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
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DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
Article
PubMed
4.00E+7n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human plasmin assessed as inhibition of amidolysis in presence of fibrinogen


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)