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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1054.5
BDBM50478450

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))
BDBM50478450
PNG
(MICROPEPTIN 478-B | Micropeptin 478 B)
Show SMILES [H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](COS(C)(=O)=O)OS(O)(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
Show InChI InChI=1S/C41H64ClN9O17S2/c1-8-20(3)31-40(60)67-22(5)32(49-36(56)29(68-70(63,64)65)19-66-69(7,61)62)37(57)46-25(11-10-16-45-41(43)44)34(54)47-26-13-15-30(53)51(38(26)58)33(21(4)9-2)39(59)50(6)27(35(55)48-31)18-23-12-14-28(52)24(42)17-23/h12,14,17,20-22,25-27,29-33,52-53H,8-11,13,15-16,18-19H2,1-7H3,(H,46,57)(H,47,54)(H,48,55)(H,49,56)(H4,43,44,45)(H,63,64,65)/t20-,21-,22+,25-,26-,27-,29+,30+,31-,32-,33-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
n/an/a 379n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of plasmin after 30 mins by microtiter plate method


Citation and Details

Article DOI: 10.1021/np9606815
BindingDB Entry DOI: 10.7270/Q27W6FZZ
More data for this
Ligand-Target Pair