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PubMed code 22244072

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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))		BDBM50361411
PNG
(CHEMBL1934375)
Show SMILES O=C1NC(=S)NC1=Cc1csc(n1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-12-11(17-15(22)18-12)4-9-6-23-13(16-9)7-1-2-10-8(3-7)5-21-14(10)20/h1-4,6H,5H2,(H2,17,18,19,22)
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n/an/a 340n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361419
PNG
(CHEMBL1934383)
Show SMILES O=C1NC(=S)NC1=Cc1cc2ccc(cc2[nH]1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H13N3O3S/c24-18-17(22-20(27)23-18)8-14-6-12-2-1-11(7-16(12)21-14)10-3-4-15-13(5-10)9-26-19(15)25/h1-8,21H,9H2,(H2,22,23,24,27)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361417
PNG
(CHEMBL1934381)
Show SMILES O=C1NC(=S)NC1=Cc1cc2ccc(cc2s1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O3S2/c23-18-16(21-20(26)22-18)8-14-6-12-2-1-11(7-17(12)27-14)10-3-4-15-13(5-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,26)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361406
PNG
(CHEMBL1934370)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(cn1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C17H11N3O3S/c21-15-14(19-17(24)20-15)6-12-3-1-10(7-18-12)9-2-4-13-11(5-9)8-23-16(13)22/h1-7H,8H2,(H2,19,20,21,24)
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n/an/a 370n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361433
PNG
(CHEMBL1934397)
Show SMILES O=[#6]-1-[#8]-[#6]-c2cc(ccc-12)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
Show InChI InChI=1S/C17H10N2O4S2/c20-14-12(15(21)19-17(24)18-14)6-10-2-4-13(25-10)8-1-3-11-9(5-8)7-23-16(11)22/h1-6H,7H2,(H2,18,19,20,21,24)
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n/an/a 400n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361422
PNG
(CHEMBL1934386)
Show SMILES O=C1NC(=S)NC1=Cc1ccc2cc(ccc2n1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C21H13N3O3S/c25-19-18(23-21(28)24-19)9-15-4-1-13-7-12(3-6-17(13)22-15)11-2-5-16-14(8-11)10-27-20(16)26/h1-9H,10H2,(H2,23,24,25,28)
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n/an/a 470n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361416
PNG
(CHEMBL1934380)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2s1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O3S2/c23-18-16(21-20(26)22-18)8-14-7-12-5-11(2-4-17(12)27-14)10-1-3-15-13(6-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,26)
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n/an/a 490n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361418
PNG
(CHEMBL1934382)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2o1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O4S/c23-18-16(21-20(27)22-18)8-14-7-12-5-11(2-4-17(12)26-14)10-1-3-15-13(6-10)9-25-19(15)24/h1-8H,9H2,(H2,21,22,23,27)
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n/an/a 510n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361400
PNG
(CHEMBL1934364)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:7.8|
Show InChI InChI=1S/C16H10N2O3S2/c19-14-12(17-16(22)18-14)6-10-2-4-13(23-10)8-1-3-11-9(5-8)7-21-15(11)20/h1-6H,7H2,(H2,17,18,19,22)
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n/an/a 780n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361432
PNG
(CHEMBL1934396)
Show SMILES O=[#6]-1-[#8]-[#6]-c2cc(ccc-12)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)s1 |w:13.15|
Show InChI InChI=1S/C17H10N2O5S/c20-14-12(15(21)19-17(23)18-14)6-10-2-4-13(25-10)8-1-3-11-9(5-8)7-24-16(11)22/h1-6H,7H2,(H2,18,19,20,21,23)
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n/an/a 800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361420
PNG
(CHEMBL1934384)
Show SMILES O=C1NC(=S)NC1=Cc1cc2cc(ccc2[nH]1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H13N3O3S/c24-18-17(22-20(27)23-18)8-14-7-12-5-11(2-4-16(12)21-14)10-1-3-15-13(6-10)9-26-19(15)25/h1-8,21H,9H2,(H2,22,23,24,27)
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n/an/a 820n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361401
PNG
(CHEMBL1934365)
Show SMILES O=C1NC(=S)NC1=Cc1cc(cs1)-c1ccc2C(=O)OCc2c1 |w:7.8|
Show InChI InChI=1S/C16H10N2O3S2/c19-14-13(17-16(22)18-14)5-11-4-10(7-23-11)8-1-2-12-9(3-8)6-21-15(12)20/h1-5,7H,6H2,(H2,17,18,19,22)
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361431
PNG
(CHEMBL1934395)
Show SMILES O=C1NC(=O)\C(S1)=C/c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:8.8|
Show InChI InChI=1S/C16H9NO4S2/c18-14-13(23-16(20)17-14)6-10-2-4-12(22-10)8-1-3-11-9(5-8)7-21-15(11)19/h1-6H,7H2,(H,17,18,20)/b13-6+
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361429
PNG
(CHEMBL1934393)
Show SMILES O=C1NC(=O)\C(N1)=C/c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:8.8|
Show InChI InChI=1S/C16H10N2O4S/c19-14-12(17-16(21)18-14)6-10-2-4-13(23-10)8-1-3-11-9(5-8)7-22-15(11)20/h1-6H,7H2,(H2,17,18,19,21)/b12-6+
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361412
PNG
(CHEMBL1934376)
Show SMILES O=C1NC(=S)NC1=Cc1cc(no1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O4S/c19-13-12(16-15(23)17-13)5-9-4-11(18-22-9)7-1-2-10-8(3-7)6-21-14(10)20/h1-5H,6H2,(H2,16,17,19,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361410
PNG
(CHEMBL1934374)
Show SMILES O=C1NC(=S)NC1=Cc1nc(cs1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-13-10(17-15(22)18-13)4-12-16-11(6-23-12)7-1-2-9-8(3-7)5-21-14(9)20/h1-4,6H,5H2,(H2,17,18,19,22)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361414
PNG
(CHEMBL1934378)
Show SMILES O=C1NC(=S)NC1=Cc1cc(ns1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-13-12(16-15(22)17-13)5-9-4-11(18-23-9)7-1-2-10-8(3-7)6-21-14(10)20/h1-5H,6H2,(H2,16,17,19,22)
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361409
PNG
(CHEMBL1934373)
Show SMILES O=C1NC(=S)NC1=Cc1cnc(s1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-12-11(17-15(22)18-12)4-9-5-16-13(23-9)7-1-2-10-8(3-7)6-21-14(10)20/h1-5H,6H2,(H2,17,18,19,22)
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361421
PNG
(CHEMBL1934385)
Show SMILES O=C1NC(=S)NC1=Cc1ccc2ccc(cc2n1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C21H13N3O3S/c25-19-18(23-21(28)24-19)9-15-5-3-11-1-2-13(8-17(11)22-15)12-4-6-16-14(7-12)10-27-20(16)26/h1-9H,10H2,(H2,23,24,25,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361404
PNG
(CHEMBL1934368)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(cc1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C18H12N2O3S/c21-16-15(19-18(24)20-16)7-10-1-3-11(4-2-10)12-5-6-14-13(8-12)9-23-17(14)22/h1-8H,9H2,(H2,19,20,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361405
PNG
(CHEMBL1934369)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(nc1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C17H11N3O3S/c21-15-14(19-17(24)20-15)5-9-1-4-13(18-7-9)10-2-3-12-11(6-10)8-23-16(12)22/h1-7H,8H2,(H2,19,20,21,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361403
PNG
(CHEMBL1934367)
Show SMILES O=C1NC(=S)NC1=Cc1cccc(c1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C18H12N2O3S/c21-16-15(19-18(24)20-16)7-10-2-1-3-11(6-10)12-4-5-14-13(8-12)9-23-17(14)22/h1-8H,9H2,(H2,19,20,21,24)
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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 recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361415
PNG
(CHEMBL1934379)
Show SMILES O=C1NC(=S)NC1=Cc1csc2ccc(cc12)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C20H12N2O3S2/c23-18-16(21-20(26)22-18)7-13-9-27-17-4-2-11(6-15(13)17)10-1-3-14-12(5-10)8-25-19(14)24/h1-7,9H,8H2,(H2,21,22,23,26)
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n/an/a 2.27E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361407
PNG
(CHEMBL1934371)
Show SMILES O=C1NC(=S)NC1=Cc1ccc([nH]1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C16H11N3O3S/c20-14-13(18-16(23)19-14)6-10-2-4-12(17-10)8-1-3-11-9(5-8)7-22-15(11)21/h1-6,17H,7H2,(H2,18,19,20,23)
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n/an/a 2.45E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361413
PNG
(CHEMBL1934377)
Show SMILES O=C1NC(=S)NC1=Cc1csnc1-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O3S2/c19-13-11(16-15(22)17-13)4-9-6-23-18-12(9)7-1-2-10-8(3-7)5-21-14(10)20/h1-4,6H,5H2,(H2,16,17,19,22)
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n/an/a 2.54E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361435
PNG
(CHEMBL1934399)
Show SMILES CN1C(=N)NC(=O)\C1=C/c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:9.9|
Show InChI InChI=1S/C17H13N3O3S/c1-20-13(15(21)19-17(20)18)7-11-3-5-14(24-11)9-2-4-12-10(6-9)8-23-16(12)22/h2-7H,8H2,1H3,(H2,18,19,21)/b13-7+
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n/an/a 2.75E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361436
PNG
(CHEMBL1934400)
Show SMILES O=C1OCc2cc(ccc12)-c1ccc(s1)-c1cnco1
Show InChI InChI=1S/C15H9NO3S/c17-15-11-2-1-9(5-10(11)7-18-15)13-3-4-14(20-13)12-6-16-8-19-12/h1-6,8H,7H2
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n/an/a 3.18E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361434
PNG
(CHEMBL1934398)
Show SMILES [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(s2)-c2ccc3-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-1=O |w:10.9|
Show InChI InChI=1S/C19H14N2O5S/c1-20-16(22)14(17(23)21(2)19(20)25)8-12-4-6-15(27-12)10-3-5-13-11(7-10)9-26-18(13)24/h3-8H,9H2,1-2H3
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n/an/a 3.96E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361399
PNG
(CHEMBL1934363)
Show SMILES O=C1NC(=S)NC1=Cc1ccc(o1)-c1ccc2C(=O)OCc2c1 |w:7.8|
Show InChI InChI=1S/C16H10N2O4S/c19-14-12(17-16(23)18-14)6-10-2-4-13(22-10)8-1-3-11-9(5-8)7-21-15(11)20/h1-6H,7H2,(H2,17,18,19,23)
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361426
PNG
(CHEMBL1934390)
Show SMILES O=Cc1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C13H8O3S/c14-6-10-2-4-12(17-10)8-1-3-11-9(5-8)7-16-13(11)15/h1-6H,7H2
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361440
PNG
(CHEMBL1934404)
Show SMILES O=C1NCC\C1=C\c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:7.7|
Show InChI InChI=1S/C17H13NO3S/c19-16-11(5-6-18-16)8-13-2-4-15(22-13)10-1-3-14-12(7-10)9-21-17(14)20/h1-4,7-8H,5-6,9H2,(H,18,19)/b11-8-
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n/an/a 6.81E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361437
PNG
(CHEMBL1934401)
Show SMILES O=C1C\C(=C\c2ccc(s2)-c2ccc3C(=O)OCc3c2)C(=O)N1 |w:5.4|
Show InChI InChI=1S/C17H11NO4S/c19-15-7-10(16(20)18-15)6-12-2-4-14(23-12)9-1-3-13-11(5-9)8-22-17(13)21/h1-6H,7-8H2,(H,18,19,20)/b10-6-
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n/an/a 6.97E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361408
PNG
(CHEMBL1934372)
Show SMILES O=C1NC(=S)NC1=Cc1cnc(o1)-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C15H9N3O4S/c19-12-11(17-15(23)18-12)4-9-5-16-13(22-9)7-1-2-10-8(3-7)6-21-14(10)20/h1-5H,6H2,(H2,17,18,19,23)
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n/an/a 7.28E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361430
PNG
(CHEMBL1934394)
Show SMILES O=C1NC(=S)S\C1=C\c1ccc(s1)-c1ccc2C(=O)OCc2c1 |w:8.8|
Show InChI InChI=1S/C16H9NO3S3/c18-14-13(23-16(21)17-14)6-10-2-4-12(22-10)8-1-3-11-9(5-8)7-20-15(11)19/h1-6H,7H2,(H,17,18,21)/b13-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361441
PNG
(CHEMBL1934405)
Show SMILES O=C1OCc2cc(ccc12)-c1ccc(\C=C2\CCCNC2=O)s1 |w:13.15|
Show InChI InChI=1S/C18H15NO3S/c20-17-12(2-1-7-19-17)9-14-4-6-16(23-14)11-3-5-15-13(8-11)10-22-18(15)21/h3-6,8-9H,1-2,7,10H2,(H,19,20)/b12-9-
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n/an/a 1.52E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361438
PNG
(CHEMBL1934402)
Show SMILES O=C1OCc2cc(ccc12)-c1ccc(\C=C2\CCN(Cc3ccccc3)C2=O)s1 |w:13.15|
Show InChI InChI=1S/C24H19NO3S/c26-23-18(10-11-25(23)14-16-4-2-1-3-5-16)13-20-7-9-22(29-20)17-6-8-21-19(12-17)15-28-24(21)27/h1-9,12-13H,10-11,14-15H2/b18-13-
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361424
PNG
(CHEMBL1934388)
Show SMILES O=C1OCc2cc(ccc12)-c1cccs1
Show InChI InChI=1S/C12H8O2S/c13-12-10-4-3-8(6-9(10)7-14-12)11-2-1-5-15-11/h1-6H,7H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361428
PNG
(CHEMBL1934392)
Show SMILES COC(=O)Cc1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C15H12O4S/c1-18-14(16)7-11-3-5-13(20-11)9-2-4-12-10(6-9)8-19-15(12)17/h2-6H,7-8H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361402
PNG
(CHEMBL1934366)
Show SMILES O=C1NC(=S)NC1=Cc1ccccc1-c1ccc2C(=O)OCc2c1 |w:6.5,8.8|
Show InChI InChI=1S/C18H12N2O3S/c21-16-15(19-18(24)20-16)8-10-3-1-2-4-13(10)11-5-6-14-12(7-11)9-23-17(14)22/h1-8H,9H2,(H2,19,20,21,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361427
PNG
(CHEMBL1934391)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C14H10O4S/c15-13(16)6-10-2-4-12(19-10)8-1-3-11-9(5-8)7-18-14(11)17/h1-5H,6-7H2,(H,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361425
PNG
(CHEMBL1934389)
Show SMILES CC(=O)c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C14H10O3S/c1-8(15)12-4-5-13(18-12)9-2-3-11-10(6-9)7-17-14(11)16/h2-6H,7H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361439
PNG
(CHEMBL1934403)
Show SMILES COc1ccc(CN2CC\C(=C\c3ccc(s3)-c3ccc4C(=O)OCc4c3)C2=O)cc1 |w:12.11|
Show InChI InChI=1S/C25H21NO4S/c1-29-20-5-2-16(3-6-20)14-26-11-10-18(24(26)27)13-21-7-9-23(31-21)17-4-8-22-19(12-17)15-30-25(22)28/h2-9,12-13H,10-11,14-15H2,1H3/b18-13-
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
Perforin-1


(Homo sapiens (Human))		BDBM50361423
PNG
(CHEMBL1934387)
Show SMILES Oc1[nH]c(=S)[nH]c1C=CCNC(=O)c1ccc2C(=O)OCc2c1 |w:8.9|
Show InChI InChI=1S/C15H13N3O4S/c19-12(8-3-4-10-9(6-8)7-22-14(10)21)16-5-1-2-11-13(20)18-15(23)17-11/h1-4,6,20H,5,7H2,(H,16,19)(H2,17,18,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incub...

Bioorg Med Chem 20: 1319-36 (2012)


Article DOI: 10.1016/j.bmc.2011.12.011
BindingDB Entry DOI: 10.7270/Q29C6XW9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%