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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50111957   
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))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>7.30E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>8.70E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Tissue plasminogen activator


Bioorg Med Chem Lett 12: 919-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00056-2
BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair