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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50079382'   
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))
BDBM50079382
PNG
((R)-2-Amino-3-methyl-pentanoic acid [(S)-1-(4-oxo-...)
Show SMILES CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CSCCC1=O
Show InChI InChI=1S/C20H29N3O3S/c1-3-13(2)18(21)20(26)22-15(11-14-7-5-4-6-8-14)19(25)23-16-12-27-10-9-17(16)24/h4-8,13,15-16,18H,3,9-12,21H2,1-2H3,(H,22,26)(H,23,25)/t13?,15-,16?,18+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.60E+7n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against plasmin


J Med Chem 42: 2969-76 (1999)


Article DOI: 10.1021/jm990110k
BindingDB Entry DOI: 10.7270/Q2WM1CMW
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50079382
PNG
((R)-2-Amino-3-methyl-pentanoic acid [(S)-1-(4-oxo-...)
Show SMILES CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CSCCC1=O
Show InChI InChI=1S/C20H29N3O3S/c1-3-13(2)18(21)20(26)22-15(11-14-7-5-4-6-8-14)19(25)23-16-12-27-10-9-17(16)24/h4-8,13,15-16,18H,3,9-12,21H2,1-2H3,(H,22,26)(H,23,25)/t13?,15-,16?,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+7n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against plasmin


J Med Chem 42: 2969-76 (1999)


Article DOI: 10.1021/jm990110k
BindingDB Entry DOI: 10.7270/Q2WM1CMW
More data for this
Ligand-Target Pair