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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50046363   
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))
BDBM50046363
PNG
(1-(2-Phenyl-pentanoyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES CC[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H31N5O3/c1-2-17(15-8-4-3-5-9-15)20(29)26-13-7-11-18(26)19(28)25-16(14-27)10-6-12-24-21(22)23/h3-5,8-9,14,16-18H,2,6-7,10-13H2,1H3,(H,25,28)(H4,22,23,24)/t16?,17-,18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50046363
PNG
(1-(2-Phenyl-pentanoyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES CC[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H31N5O3/c1-2-17(15-8-4-3-5-9-15)20(29)26-13-7-11-18(26)19(28)25-16(14-27)10-6-12-24-21(22)23/h3-5,8-9,14,16-18H,2,6-7,10-13H2,1H3,(H,25,28)(H4,22,23,24)/t16?,17-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)


J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair