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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50029503   
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))
BDBM50029503
PNG
((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...)
Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O
Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/t17-,18-,22-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.40E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029503
PNG
((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...)
Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O
Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/t17-,18-,22-/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>3.00E+7n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair