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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50194746   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194746
PNG
(CHEMBL405546 | diphenyl 1-[(N-o-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-11-9-10-16-29(23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-17-19-26(20-18-25)39-35(36)37)49(46,47-27-12-5-3-6-13-27)48-28-14-7-4-8-15-28/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50194746
PNG
(CHEMBL405546 | diphenyl 1-[(N-o-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-11-9-10-16-29(23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-17-19-26(20-18-25)39-35(36)37)49(46,47-27-12-5-3-6-13-27)48-28-14-7-4-8-15-28/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant tPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50194746
PNG
(CHEMBL405546 | diphenyl 1-[(N-o-methylbenzoyl-D-se...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1C)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C35H39N6O7P/c1-23-11-9-10-16-29(23)33(44)40-30(22-42)34(45)38-24(2)32(43)41-31(21-25-17-19-26(20-18-25)39-35(36)37)49(46,47-27-12-5-3-6-13-27)48-28-14-7-4-8-15-28/h3-20,24,30-31,42H,21-22H2,1-2H3,(H,38,45)(H,40,44)(H,41,43)(H4,36,37,39)/t24-,30+,31?/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair