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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50060705   
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))
BDBM50060705
PNG
((S)-1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carbo...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,20,23-25H,7,12-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
7.44E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease plasmin


J Med Chem 40: 3687-93 (1997)


Article DOI: 10.1021/jm970397q
BindingDB Entry DOI: 10.7270/Q20Z73ZQ
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50060705
PNG
((S)-1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carbo...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,20,23-25H,7,12-19,28H2,(H,29,32)/t20?,23?,25-/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
>1.00E+6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease TPA


J Med Chem 40: 3687-93 (1997)


Article DOI: 10.1021/jm970397q
BindingDB Entry DOI: 10.7270/Q20Z73ZQ
More data for this
Ligand-Target Pair