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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50093134   
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))
BDBM50093134
PNG
(CHEMBL79655 | Derivative of piperazine-1-carboxyli...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C35H49N9O6/c36-31(37)40-28-14-12-27(13-15-28)25-39-33(46)42-18-22-44(23-19-42)35(48)50-30-10-4-8-29(9-5-11-30)49-34(47)43-20-16-41(17-21-43)32(45)38-24-26-6-2-1-3-7-26/h1-3,6-7,12-15,29-30H,4-5,8-11,16-25H2,(H,38,45)(H,39,46)(H4,36,37,40)/t29-,30+
PDB
MMDB

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PC cid
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Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against plasmin


Bioorg Med Chem Lett 10: 2361-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093134
PNG
(CHEMBL79655 | Derivative of piperazine-1-carboxyli...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C35H49N9O6/c36-31(37)40-28-14-12-27(13-15-28)25-39-33(46)42-18-22-44(23-19-42)35(48)50-30-10-4-8-29(9-5-11-30)49-34(47)43-20-16-41(17-21-43)32(45)38-24-26-6-2-1-3-7-26/h1-3,6-7,12-15,29-30H,4-5,8-11,16-25H2,(H,38,45)(H,39,46)(H4,36,37,40)/t29-,30+
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



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory potency against plasmin


Bioorg Med Chem Lett 10: 2357-60 (2001)


Article DOI: 10.1016/s0960-894x(00)00484-4
BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair