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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50035437   
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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50144551
PNG
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O
Show InChI InChI=1S/C20H33N5O5/c1-20(2,3)22-18(29)23-8-10-24(11-9-23)19(30)25-15(17(27)28)14(16(25)26)12-13-4-6-21-7-5-13/h13-15,21H,4-12H2,1-3H3,(H,22,29)(H,27,28)/t14-,15+/m1/s1
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Article
PubMed
n/an/a>1.10E+3n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50120368
PNG
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1
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Article
PubMed
n/an/a>8.25E+3n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50144555
PNG
((R)-1-{4-[2-(4-Benzyloxy-phenyl)-acetyl]-piperazin...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H36N4O6/c35-26(19-21-6-8-24(9-7-21)40-20-23-4-2-1-3-5-23)32-14-16-33(17-15-32)30(39)34-27(29(37)38)25(28(34)36)18-22-10-12-31-13-11-22/h1-9,22,25,27,31H,10-20H2,(H,37,38)/t25-,27+/m1/s1
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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50144535
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/m1/s1
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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair