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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50001331   
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
Perforin-1


(Homo sapiens (Human))
BDBM50276535
PNG
(CHEMBL4169732)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H19N3O5S2/c1-28-14-18-10-16(4-7-21(18)24(28)29)22-8-9-23(34-22)17-11-19(13-26-12-17)27-35(32,33)20-5-2-15(3-6-20)25(30)31/h2-13,27H,14H2,1H3,(H,30,31)
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n/an/a 750n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276462
PNG
(CHEMBL4171638)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H16ClF2N3O3S2/c1-30-12-15-8-13(2-4-17(15)24(30)31)20-5-6-21(34-20)14-9-19(23(25)28-11-14)29-35(32,33)22-7-3-16(26)10-18(22)27/h2-11,29H,12H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276597
PNG
(CHEMBL4165670)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C22H17N3O3S3/c1-25-13-16-9-14(4-5-18(16)22(25)26)19-6-7-20(30-19)15-10-17(12-23-11-15)24-31(27,28)21-3-2-8-29-21/h2-12,24H,13H2,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276547
PNG
(CHEMBL4175880)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccn2)c1
Show InChI InChI=1S/C23H18N4O3S2/c1-27-14-17-10-15(5-6-19(17)23(27)28)20-7-8-21(31-20)16-11-18(13-24-12-16)26-32(29,30)22-4-2-3-9-25-22/h2-13,26H,14H2,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276426
PNG
(CHEMBL4162248)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H18F3N3O3S2/c1-31-14-17-9-15(5-6-21(17)24(31)32)22-7-8-23(35-22)16-10-19(13-29-12-16)30-36(33,34)20-4-2-3-18(11-20)25(26,27)28/h2-13,30H,14H2,1H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276521
PNG
(CHEMBL4159529)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H17Cl2N3O3S2/c1-29-13-16-8-14(2-4-19(16)24(29)30)22-6-7-23(33-22)15-9-17(12-27-11-15)28-34(31,32)18-3-5-20(25)21(26)10-18/h2-12,28H,13H2,1H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276527
PNG
(CHEMBL4166108)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C25H18F3N3O4S2/c1-31-14-17-9-15(5-6-21(17)24(31)32)22-7-8-23(36-22)16-10-18(13-29-12-16)30-37(33,34)20-4-2-3-19(11-20)35-25(26,27)28/h2-13,30H,14H2,1H3
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n/an/a 1.42E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276529
PNG
(CHEMBL4176308)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C25H18F3N3O3S2/c1-31-14-17-10-15(6-7-19(17)24(31)32)21-8-9-22(35-21)16-11-18(13-29-12-16)30-36(33,34)23-5-3-2-4-20(23)25(26,27)28/h2-13,30H,14H2,1H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276518
PNG
(CHEMBL4166139)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1
Show InChI InChI=1S/C24H16F3N3O3S2/c1-30-12-15-6-13(2-3-18(15)24(30)31)21-4-5-22(34-21)14-7-17(11-28-10-14)29-35(32,33)23-19(26)8-16(25)9-20(23)27/h2-11,29H,12H2,1H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276503
PNG
(CHEMBL4164439)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cnc(F)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H16F3N3O3S2/c1-30-12-15-8-13(2-4-17(15)24(30)31)20-5-6-21(34-20)14-9-19(23(27)28-11-14)29-35(32,33)22-7-3-16(25)10-18(22)26/h2-11,29H,12H2,1H3
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n/an/a 1.99E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276452
PNG
(CHEMBL4159319)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2F)c1
Show InChI InChI=1S/C24H18FN3O3S2/c1-28-14-17-10-15(6-7-19(17)24(28)29)21-8-9-22(32-21)16-11-18(13-26-12-16)27-33(30,31)23-5-3-2-4-20(23)25/h2-13,27H,14H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276523
PNG
(CHEMBL4163296)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(Br)c2)c1
Show InChI InChI=1S/C24H18BrN3O3S2/c1-28-14-17-9-15(5-6-21(17)24(28)29)22-7-8-23(32-22)16-10-19(13-26-12-16)27-33(30,31)20-4-2-3-18(25)11-20/h2-13,27H,14H2,1H3
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n/an/a 2.11E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276504
PNG
(CHEMBL4162713)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(c1)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H17F2N3O3S2/c1-29-13-16-8-14(2-4-19(16)24(29)30)22-6-7-23(33-22)15-9-18(12-27-11-15)34(31,32)28-21-5-3-17(25)10-20(21)26/h2-12,28H,13H2,1H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276424
PNG
(CHEMBL4169565)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H18ClN3O3S2/c1-28-14-17-9-15(5-6-21(17)24(28)29)22-7-8-23(32-22)16-10-19(13-26-12-16)27-33(30,31)20-4-2-3-18(25)11-20/h2-13,27H,14H2,1H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276526
PNG
(CHEMBL4164401)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H21N3O4S2/c1-28-15-18-10-16(6-7-22(18)25(28)29)23-8-9-24(33-23)17-11-19(14-26-13-17)27-34(30,31)21-5-3-4-20(12-21)32-2/h3-14,27H,15H2,1-2H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276468
PNG
(CHEMBL4162887)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2Br)c1
Show InChI InChI=1S/C24H18BrN3O3S2/c1-28-14-17-10-15(6-7-19(17)24(28)29)21-8-9-22(32-21)16-11-18(13-26-12-16)27-33(30,31)23-5-3-2-4-20(23)25/h2-13,27H,14H2,1H3
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n/an/a 2.66E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276541
PNG
(CHEMBL4168679)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H18N4O5S2/c1-27-14-17-10-15(2-7-21(17)24(27)29)22-8-9-23(34-22)16-11-18(13-25-12-16)26-35(32,33)20-5-3-19(4-6-20)28(30)31/h2-13,26H,14H2,1H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276524
PNG
(CHEMBL4166740)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
Show InChI InChI=1S/C24H17Br2N3O3S2/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26/h2-12,28H,13H2,1H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276382
PNG
(CHEMBL4176515)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C26H21N3O5S2/c1-29-15-18-11-16(7-8-20(18)25(29)30)22-9-10-23(35-22)17-12-19(14-27-13-17)28-36(32,33)24-6-4-3-5-21(24)26(31)34-2/h3-14,28H,15H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276415
PNG
(CHEMBL4165448)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)-c2cnco2)c1
Show InChI InChI=1S/C27H20N4O4S2/c1-31-15-20-10-18(4-7-23(20)27(31)32)25-8-9-26(36-25)19-11-21(13-28-12-19)30-37(33,34)22-5-2-17(3-6-22)24-14-29-16-35-24/h2-14,16,30H,15H2,1H3
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n/an/a 3.05E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276502
PNG
(CHEMBL4161033)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H19F2N3O4S2/c1-30-13-16-9-14(3-5-18(16)25(30)31)21-6-7-22(35-21)15-10-20(24(34-2)28-12-15)29-36(32,33)23-8-4-17(26)11-19(23)27/h3-12,29H,13H2,1-2H3
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n/an/a 3.56E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276544
PNG
(CHEMBL4164153)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H17F4N3O3S2/c1-32-13-16-8-14(2-4-19(16)24(32)33)22-6-7-23(36-22)15-9-17(12-30-11-15)31-37(34,35)18-3-5-21(26)20(10-18)25(27,28)29/h2-12,31H,13H2,1H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276594
PNG
(CHEMBL4177413)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C24H18ClN3O3S2/c1-28-14-17-10-15(6-7-19(17)24(28)29)21-8-9-22(32-21)16-11-18(13-26-12-16)27-33(30,31)23-5-3-2-4-20(23)25/h2-13,27H,14H2,1H3
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n/an/a 4.01E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276477
PNG
(CHEMBL4174447)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cnc(F)c(NS(=O)(=O)c2ccccn2)c1
Show InChI InChI=1S/C23H17FN4O3S2/c1-28-13-16-10-14(5-6-17(16)23(28)29)19-7-8-20(32-19)15-11-18(22(24)26-12-15)27-33(30,31)21-4-2-3-9-25-21/h2-12,27H,13H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276505
PNG
(CHEMBL4164202)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1ccnc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H17F2N3O3S2/c1-29-13-16-10-14(2-4-18(16)24(29)30)20-5-6-21(33-20)15-8-9-27-23(11-15)28-34(31,32)22-7-3-17(25)12-19(22)26/h2-12H,13H2,1H3,(H,27,28)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276469
PNG
(CHEMBL4174641)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(I)cc2)c1
Show InChI InChI=1S/C24H18IN3O3S2/c1-28-14-17-10-15(2-7-21(17)24(28)29)22-8-9-23(32-22)16-11-19(13-26-12-16)27-33(30,31)20-5-3-18(25)4-6-20/h2-13,27H,14H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276533
PNG
(CHEMBL4169336)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C25H18N4O3S2/c1-29-15-19-10-17(4-7-22(19)25(29)30)23-8-9-24(33-23)18-11-20(14-27-13-18)28-34(31,32)21-5-2-16(12-26)3-6-21/h2-11,13-14,28H,15H2,1H3
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n/an/a 5.17E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276419
PNG
(CHEMBL4170150)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H18ClN3O3S2/c1-28-14-17-10-15(2-7-21(17)24(28)29)22-8-9-23(32-22)16-11-19(13-26-12-16)27-33(30,31)20-5-3-18(25)4-6-20/h2-13,27H,14H2,1H3
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n/an/a 5.39E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276543
PNG
(CHEMBL4172029)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2C)c1
Show InChI InChI=1S/C25H20FN3O3S2/c1-15-9-19(26)4-8-24(15)34(31,32)28-20-11-17(12-27-13-20)23-7-6-22(33-23)16-3-5-21-18(10-16)14-29(2)25(21)30/h3-13,28H,14H2,1-2H3
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n/an/a 5.53E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276596
PNG
(CHEMBL4175078)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C25H18F2N2O3S2/c1-29-14-17-11-16(5-7-20(17)25(29)30)23-9-8-22(33-23)15-3-2-4-19(12-15)28-34(31,32)24-10-6-18(26)13-21(24)27/h2-13,28H,14H2,1H3
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n/an/a 5.74E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276470
PNG
(CHEMBL4177388)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H21N3O4S2/c1-28-15-18-11-16(3-8-22(18)25(28)29)23-9-10-24(33-23)17-12-19(14-26-13-17)27-34(30,31)21-6-4-20(32-2)5-7-21/h3-14,27H,15H2,1-2H3
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n/an/a 6.27E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276429
PNG
(CHEMBL4174219)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C24H18N4O5S2/c1-27-14-17-10-15(6-7-19(17)24(27)29)21-8-9-22(34-21)16-11-18(13-25-12-16)26-35(32,33)23-5-3-2-4-20(23)28(30)31/h2-13,26H,14H2,1H3
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n/an/a 6.65E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276536
PNG
(CHEMBL4159073)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C25H21N3O5S3/c1-28-15-18-11-16(7-8-20(18)25(28)29)21-9-10-22(34-21)17-12-19(14-26-13-17)27-36(32,33)24-6-4-3-5-23(24)35(2,30)31/h3-14,27H,15H2,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276550
PNG
(CHEMBL4160931)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(s2)-c2ccno2)c1
Show InChI InChI=1S/C25H18N4O4S3/c1-29-14-17-10-15(2-3-19(17)25(29)30)21-4-5-22(34-21)16-11-18(13-26-12-16)28-36(31,32)24-7-6-23(35-24)20-8-9-27-33-20/h2-13,28H,14H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276476
PNG
(CHEMBL4165907)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C26H21N3O5S2/c1-29-15-19-10-16(6-7-22(19)25(29)30)23-8-9-24(35-23)18-11-20(14-27-13-18)28-36(32,33)21-5-3-4-17(12-21)26(31)34-2/h3-14,28H,15H2,1-2H3
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n/an/a 7.77E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276430
PNG
(CHEMBL4161825)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1
Show InChI InChI=1S/C25H20ClN3O3S2/c1-15-3-5-20(11-22(15)26)34(31,32)28-19-10-17(12-27-13-19)24-8-7-23(33-24)16-4-6-21-18(9-16)14-29(2)25(21)30/h3-13,28H,14H2,1-2H3
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n/an/a 8.14E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276534
PNG
(CHEMBL4173146)
Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C26H21N3O5S2/c1-29-15-19-11-17(5-8-22(19)25(29)30)23-9-10-24(35-23)18-12-20(14-27-13-18)28-36(32,33)21-6-3-16(4-7-21)26(31)34-2/h3-14,28H,15H2,1-2H3
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n/an/a 8.16E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276584
PNG
(CHEMBL4167226)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H19N3O3S2/c1-27-15-18-11-16(7-8-21(18)24(27)28)22-9-10-23(31-22)17-12-19(14-25-13-17)26-32(29,30)20-5-3-2-4-6-20/h2-14,26H,15H2,1H3
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n/an/a 8.46E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276595
PNG
(CHEMBL4171200)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C24H18BrN3O3S2/c1-28-14-17-10-15(2-7-21(17)24(28)29)22-8-9-23(32-22)16-11-19(13-26-12-16)27-33(30,31)20-5-3-18(25)4-6-20/h2-13,27H,14H2,1H3
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n/an/a 8.77E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276422
PNG
(CHEMBL4171229)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cccc(c1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C24H19N3O3S2/c1-27-15-18-13-17(8-9-20(18)24(27)28)22-11-10-21(31-22)16-5-4-6-19(14-16)32(29,30)26-23-7-2-3-12-25-23/h2-14H,15H2,1H3,(H,25,26)
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n/an/a 8.92E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276532
PNG
(CHEMBL4174421)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2C#N)c1
Show InChI InChI=1S/C25H18N4O3S2/c1-29-15-19-10-16(6-7-21(19)25(29)30)22-8-9-23(33-22)18-11-20(14-27-13-18)28-34(31,32)24-5-3-2-4-17(24)12-26/h2-11,13-14,28H,15H2,1H3
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n/an/a 9.17E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276514
PNG
(CHEMBL4162687)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H18FN3O3S2/c1-28-14-17-10-15(2-7-21(17)24(28)29)22-8-9-23(32-22)16-11-19(13-26-12-16)27-33(30,31)20-5-3-18(25)4-6-20/h2-13,27H,14H2,1H3
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n/an/a 9.65E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276478
PNG
(CHEMBL4163775)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccccn1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H21N3O4S2/c1-28-15-18-13-16(6-8-19(18)25(28)29)21-10-11-22(33-21)17-7-9-20(32-2)23(14-17)34(30,31)27-24-5-3-4-12-26-24/h3-14H,15H2,1-2H3,(H,26,27)
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n/an/a 9.68E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276583
PNG
(CHEMBL4172227)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2scnc2C)c1
Show InChI InChI=1S/C22H18N4O3S3/c1-13-22(30-12-24-13)32(28,29)25-17-8-15(9-23-10-17)20-6-5-19(31-20)14-3-4-18-16(7-14)11-26(2)21(18)27/h3-10,12,25H,11H2,1-2H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276549
PNG
(CHEMBL4176055)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccsc2)c1
Show InChI InChI=1S/C22H17N3O3S3/c1-25-12-16-8-14(2-3-19(16)22(25)26)20-4-5-21(30-20)15-9-17(11-23-10-15)24-31(27,28)18-6-7-29-13-18/h2-11,13,24H,12H2,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276404
PNG
(CHEMBL4160759)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(Cl)c2F)c1
Show InChI InChI=1S/C24H17ClFN3O3S2/c1-29-13-16-9-14(5-6-18(16)24(29)30)20-7-8-21(33-20)15-10-17(12-27-11-15)28-34(31,32)22-4-2-3-19(25)23(22)26/h2-12,28H,13H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276425
PNG
(CHEMBL4169526)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C26H23N3O5S2/c1-29-15-18-10-16(4-6-21(18)26(29)30)24-8-9-25(35-24)17-11-19(14-27-13-17)28-36(31,32)20-5-7-22(33-2)23(12-20)34-3/h4-14,28H,15H2,1-3H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276525
PNG
(CHEMBL4175052)
Show SMILES COc1ccccc1S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C25H21N3O4S2/c1-28-15-18-11-16(7-8-20(18)25(28)29)22-9-10-23(33-22)17-12-19(14-26-13-17)27-34(30,31)24-6-4-3-5-21(24)32-2/h3-14,27H,15H2,1-2H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276522
PNG
(CHEMBL4173605)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H17Cl2N3O3S2/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26/h2-12,28H,13H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))
BDBM50276433
PNG
(CHEMBL4173590)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccnc2)c1
Show InChI InChI=1S/C23H18N4O3S2/c1-27-14-17-9-15(4-5-20(17)23(27)28)21-6-7-22(31-21)16-10-18(12-25-11-16)26-32(29,30)19-3-2-8-24-13-19/h2-13,26H,14H2,1H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell additio...


Eur J Med Chem 137: 139-155 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.048
BindingDB Entry DOI: 10.7270/Q21R6T15
More data for this
Ligand-Target Pair
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