Compile Data Set for Download or QSAR
Found 67 Enz. Inhib. hit(s) with all data for entry = 50043729
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445263(CHEMBL3103651)
Show SMILES O=C1NC(=O)\C(N1)=C/c1ccc(s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C16H11N3O3S/c20-14-11-3-1-8(5-9(11)7-17-14)13-4-2-10(23-13)6-12-15(21)19-16(22)18-12/h1-6H,7H2,(H,17,20)(H2,18,19,21,22)/b12-6+
Affinity DataIC50: 400nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445286(CHEMBL3103907)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H13N3O2S2/c1-20-8-10-6-9(2-4-12(10)16(20)22)14-5-3-11(24-14)7-13-15(21)19-17(23)18-13/h2-7H,8H2,1H3,(H2,18,19,21,23)/b13-7+
Affinity DataIC50: 510nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445279(CHEMBL3103914)
Show SMILES OCCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H17N3O3S2/c23-7-1-6-22-10-12-8-11(2-4-14(12)18(22)25)16-5-3-13(27-16)9-15-17(24)21-19(26)20-15/h2-5,8-9,23H,1,6-7,10H2,(H2,20,21,24,26)/b15-9+
Affinity DataIC50: 530nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445276(CHEMBL3103917)
Show SMILES CCOC(=O)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H15N3O4S2/c1-2-26-19(25)22-9-11-7-10(3-5-13(11)17(22)24)15-6-4-12(28-15)8-14-16(23)21-18(27)20-14/h3-8H,2,9H2,1H3,(H2,20,21,23,27)/b14-8+
Affinity DataIC50: 550nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445285(CHEMBL3103908)
Show SMILES CCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O2S2/c1-2-21-9-11-7-10(3-5-13(11)17(21)23)15-6-4-12(25-15)8-14-16(22)20-18(24)19-14/h3-8H,2,9H2,1H3,(H2,19,20,22,24)/b14-8+
Affinity DataIC50: 600nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445259(CHEMBL3103655)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(cn1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C17H12N4O2S/c22-15-13-4-2-9(5-11(13)8-19-15)10-1-3-12(18-7-10)6-14-16(23)21-17(24)20-14/h1-7H,8H2,(H,19,22)(H2,20,21,23,24)/b14-6+
Affinity DataIC50: 630nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445267(CHEMBL3103647)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C17H13N3O2S2/c21-15-12-7-10(2-1-9(12)5-6-18-15)14-4-3-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
Affinity DataIC50: 640nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445280(CHEMBL3103913)
Show SMILES OCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O3S2/c22-6-5-21-9-11-7-10(1-3-13(11)17(21)24)15-4-2-12(26-15)8-14-16(23)20-18(25)19-14/h1-4,7-8,22H,5-6,9H2,(H2,19,20,23,25)/b14-8+
Affinity DataIC50: 780nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445303(CHEMBL3102870)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H11N3O2S2/c16-13(19)9-3-1-2-8(6-9)12-5-4-10(22-12)7-11-14(20)18-15(21)17-11/h1-7H,(H2,16,19)(H2,17,18,20,21)/b11-7+
Affinity DataIC50: 790nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445277(CHEMBL3103916)
Show SMILES CC(=O)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H13N3O3S2/c1-9(22)21-8-11-6-10(2-4-13(11)17(21)24)15-5-3-12(26-15)7-14-16(23)20-18(25)19-14/h2-7H,8H2,1H3,(H2,19,20,23,25)/b14-7+
Affinity DataIC50: 930nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445268(CHEMBL3103646)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C17H13N3O2S2/c21-15-12-3-1-10(7-9(12)5-6-18-15)14-4-2-11(24-14)8-13-16(22)20-17(23)19-13/h1-4,7-8H,5-6H2,(H,18,21)(H2,19,20,22,23)/b13-8+
Affinity DataIC50: 1.14E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445307(CHEMBL3104019)
Show SMILES CSc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H12N2OS3/c1-20-10-4-2-9(3-5-10)13-7-6-11(21-13)8-12-14(18)17-15(19)16-12/h2-8H,1H3,(H2,16,17,18,19)/b12-8+
Affinity DataIC50: 1.15E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445281(CHEMBL3103912)
Show SMILES CC(=O)OCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C20H17N3O4S2/c1-11(24)27-7-6-23-10-13-8-12(2-4-15(13)19(23)26)17-5-3-14(29-17)9-16-18(25)22-20(28)21-16/h2-5,8-9H,6-7,10H2,1H3,(H2,21,22,25,28)/b16-9+
Affinity DataIC50: 1.17E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445283(CHEMBL3103910)
Show SMILES CCCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C20H19N3O2S2/c1-2-3-8-23-11-13-9-12(4-6-15(13)19(23)25)17-7-5-14(27-17)10-16-18(24)22-20(26)21-16/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,22,24,26)/b16-10+
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445278(CHEMBL3103915)
Show SMILES OCC(O)CN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H17N3O4S2/c23-9-12(24)8-22-7-11-5-10(1-3-14(11)18(22)26)16-4-2-13(28-16)6-15-17(25)21-19(27)20-15/h1-6,12,23-24H,7-9H2,(H2,20,21,25,27)/b15-6+
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445270(CHEMBL3103644)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C16H11N3O2S2/c20-14-11-5-8(1-2-9(11)7-17-14)13-4-3-10(23-13)6-12-15(21)19-16(22)18-12/h1-6H,7H2,(H,17,20)(H2,18,19,21,22)/b12-6+
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445255(CHEMBL3103900)
Show SMILES O=C1NC(=S)N\C1=C\c1cc2cc(ccc2[nH]1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C21H16N4O2S/c26-19-16-3-1-11(7-13(16)5-6-22-19)12-2-4-17-14(8-12)9-15(23-17)10-18-20(27)25-21(28)24-18/h1-4,7-10,23H,5-6H2,(H,22,26)(H2,24,25,27,28)/b18-10+
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445284(CHEMBL3103909)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H17N3O2S2/c1-2-7-22-10-12-8-11(3-5-14(12)18(22)24)16-6-4-13(26-16)9-15-17(23)21-19(25)20-15/h3-6,8-9H,2,7,10H2,1H3,(H2,20,21,23,25)/b15-9+
Affinity DataIC50: 1.52E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445302(CHEMBL3104023)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H11N3O2S2/c16-13(19)9-3-1-8(2-4-9)12-6-5-10(22-12)7-11-14(20)18-15(21)17-11/h1-7H,(H2,16,19)(H2,17,18,20,21)/b11-7+
Affinity DataIC50: 1.56E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445258(CHEMBL3103897)
Show SMILES O=C1NC(=S)N\C1=C\c1cc2ccc(cc2[nH]1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C20H14N4O2S/c25-18-15-4-3-10(5-13(15)9-21-18)11-1-2-12-6-14(22-16(12)7-11)8-17-19(26)24-20(27)23-17/h1-8,22H,9H2,(H,21,25)(H2,23,24,26,27)/b17-8+
Affinity DataIC50: 1.58E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445304(CHEMBL3104022)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C16H12N2O3S2/c1-21-15(20)10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)18-16(22)17-12/h2-8H,1H3,(H2,17,18,19,22)/b12-8+
Affinity DataIC50: 1.62E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445256(CHEMBL3103899)
Show SMILES O=C1NC(=S)N\C1=C\c1cc2ccc(cc2[nH]1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C21H16N4O2S/c26-19-16-4-3-11(7-13(16)5-6-22-19)12-1-2-14-8-15(23-17(14)9-12)10-18-20(27)25-21(28)24-18/h1-4,7-10,23H,5-6H2,(H,22,26)(H2,24,25,27,28)/b18-10+
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445306(CHEMBL3104020)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(C=C2NC(=S)NC2=O)s1
Show InChI InChI=1S/C16H12N2O2S2/c1-9(19)10-2-4-11(5-3-10)14-7-6-12(22-14)8-13-15(20)18-16(21)17-13/h2-8H,1H3,(H2,17,18,20,21)
Affinity DataIC50: 1.67E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445308(CHEMBL3104018)
Show SMILES Brc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C14H9BrN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445269(CHEMBL3103645)
Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H13N3O2S2/c1-20-8-10-3-2-9(6-12(10)16(20)22)14-5-4-11(24-14)7-13-15(21)19-17(23)18-13/h2-7H,8H2,1H3,(H2,18,19,21,23)/b13-7+
Affinity DataIC50: 1.89E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445266(CHEMBL3103648)
Show SMILES CN1CCc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O2S2/c1-21-7-6-10-8-11(2-4-13(10)17(21)23)15-5-3-12(25-15)9-14-16(22)20-18(24)19-14/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22,24)/b14-9+
Affinity DataIC50: 2.33E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445288(CHEMBL3103905)
Show SMILES OCC(O)CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H17N3O4S2/c22-9-12(23)8-19-16(24)11-3-1-10(2-4-11)15-6-5-13(27-15)7-14-17(25)21-18(26)20-14/h1-7,12,22-23H,8-9H2,(H,19,24)(H2,20,21,25,26)/b14-7+
Affinity DataIC50: 2.44E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445257(CHEMBL3103898)
Show SMILES O=C1NC(=S)N\C1=C\c1cc2cc(ccc2[nH]1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C20H14N4O2S/c25-18-15-3-1-10(6-13(15)9-21-18)11-2-4-16-12(5-11)7-14(22-16)8-17-19(26)24-20(27)23-17/h1-8,22H,9H2,(H,21,25)(H2,23,24,26,27)/b17-8+
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445254(CHEMBL3103641)
Show SMILES O=C1NC(=S)C(N1)=Cc1ccc2cc(ccc2n1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C22H16N4O2S/c27-20-17-5-2-12(9-14(17)7-8-23-20)13-3-6-18-15(10-13)1-4-16(24-18)11-19-21(29)26-22(28)25-19/h1-6,9-11H,7-8H2,(H,23,27)(H2,25,26,28,29)
Affinity DataIC50: 2.55E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445287(CHEMBL3103906)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C16H11N3O2S2/c20-14-11-3-1-8(5-9(11)7-17-14)13-4-2-10(23-13)6-12-15(21)19-16(22)18-12/h1-6H,7H2,(H,17,20)(H2,18,19,21,22)/b12-6+
Affinity DataIC50: 2.55E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445262(CHEMBL3103652)
Show SMILES O=C1NC(=S)N\C1=C/c1cc(cs1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C16H11N3O2S2/c20-14-12-2-1-8(3-9(12)6-17-14)10-4-11(23-7-10)5-13-15(21)19-16(22)18-13/h1-5,7H,6H2,(H,17,20)(H2,18,19,21,22)/b13-5-
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445301(CHEMBL3104024)
Show SMILES COC(=O)c1ccc(cc1C)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H14N2O3S2/c1-9-7-10(3-5-12(9)16(21)22-2)14-6-4-11(24-14)8-13-15(20)19-17(23)18-13/h3-8H,1-2H3,(H2,18,19,20,23)/b13-8+
Affinity DataIC50: 3.03E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445305(CHEMBL3104021)
Show SMILES CC(=O)OCc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H14N2O3S2/c1-10(20)22-9-11-2-4-12(5-3-11)15-7-6-13(24-15)8-14-16(21)19-17(23)18-14/h2-8H,9H2,1H3,(H2,18,19,21,23)/b14-8+
Affinity DataIC50: 3.04E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445309(CHEMBL3104017)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H8ClF3N2OS2/c16-10-3-1-7(5-9(10)15(17,18)19)12-4-2-8(24-12)6-11-13(22)21-14(23)20-11/h1-6H,(H2,20,21,22,23)/b11-6+
Affinity DataIC50: 3.09E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445271(CHEMBL3103643)
Show SMILES CC1N(C)C(=O)c2ccc(cc12)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O2S2/c1-9-13-7-10(3-5-12(13)17(23)21(9)2)15-6-4-11(25-15)8-14-16(22)20-18(24)19-14/h3-9H,1-2H3,(H2,19,20,22,24)/b14-8+
Affinity DataIC50: 3.21E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445260(CHEMBL3103654)
Show SMILES O=C1NC(=S)N\C1=C/c1cccc(c1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C18H13N3O2S/c22-16-14-5-4-12(8-13(14)9-19-16)11-3-1-2-10(6-11)7-15-17(23)21-18(24)20-15/h1-8H,9H2,(H,19,22)(H2,20,21,23,24)/b15-7-
Affinity DataIC50: 3.44E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445291(CHEMBL3103902)
Show SMILES OCCNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H15N3O3S2/c21-8-7-18-15(22)11-3-1-10(2-4-11)14-6-5-12(25-14)9-13-16(23)20-17(24)19-13/h1-6,9,21H,7-8H2,(H,18,22)(H2,19,20,23,24)/b13-9+
Affinity DataIC50: 3.64E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445290(CHEMBL3103903)
Show SMILES OCCCNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H17N3O3S2/c22-9-1-8-19-16(23)12-4-2-11(3-5-12)15-7-6-13(26-15)10-14-17(24)21-18(25)20-14/h2-7,10,22H,1,8-9H2,(H,19,23)(H2,20,21,24,25)/b14-10+
Affinity DataIC50: 4.35E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445282(CHEMBL3103911)
Show SMILES CC(C)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H17N3O2S2/c1-10(2)22-9-12-7-11(3-5-14(12)18(22)24)16-6-4-13(26-16)8-15-17(23)21-19(25)20-15/h3-8,10H,9H2,1-2H3,(H2,20,21,23,25)/b15-8+
Affinity DataIC50: 4.42E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445296(CHEMBL3104231)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C16H13N3O2S2/c1-17-14(20)10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-15(21)19-16(22)18-12/h2-8H,1H3,(H,17,20)(H2,18,19,21,22)/b12-8+
Affinity DataIC50: 4.53E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445314(CHEMBL3104012)
Show SMILES Fc1ccc(cc1F)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C14H8F2N2OS2/c15-9-3-1-7(5-10(9)16)12-4-2-8(21-12)6-11-13(19)18-14(20)17-11/h1-6H,(H2,17,18,19,20)/b11-6+
Affinity DataIC50: 4.59E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445312(CHEMBL3104014)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)9-3-1-8(2-4-9)12-6-5-10(23-12)7-11-13(21)20-14(22)19-11/h1-7H,(H2,19,20,21,22)/b11-7+
Affinity DataIC50: 4.66E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445265(CHEMBL3103649)
Show SMILES CN1CCc2ccc(cc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H15N3O2S2/c1-21-7-6-10-2-3-11(8-13(10)17(21)23)15-5-4-12(25-15)9-14-16(22)20-18(24)19-14/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22,24)/b14-9+
Affinity DataIC50: 4.76E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445317(CHEMBL3104009)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C14H9ClN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
Affinity DataIC50: 5.22E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445264(CHEMBL3103650)
Show SMILES CC(=O)c1cn(C)c2ccc(cc12)-c1ccc(C=C2NC(=S)NC2=O)s1
Show InChI InChI=1S/C19H15N3O2S2/c1-10(23)14-9-22(2)16-5-3-11(7-13(14)16)17-6-4-12(26-17)8-15-18(24)21-19(25)20-15/h3-9H,1-2H3,(H2,20,21,24,25)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445261(CHEMBL3103653)
Show SMILES O=C1NCc2cc(ccc12)-c1ccc(\C=C2\NC(=S)NC2=O)cc1
Show InChI InChI=1S/C18H13N3O2S/c22-16-14-6-5-12(8-13(14)9-19-16)11-3-1-10(2-4-11)7-15-17(23)21-18(24)20-15/h1-8H,9H2,(H,19,22)(H2,20,21,23,24)/b15-7+
Affinity DataIC50: 5.55E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445313(CHEMBL3104013)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)9-3-1-2-8(6-9)12-5-4-10(23-12)7-11-13(21)20-14(22)19-11/h1-7H,(H2,19,20,21,22)/b11-7+
Affinity DataIC50: 5.66E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445289(CHEMBL3103904)
Show SMILES CC(O)CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C18H17N3O3S2/c1-10(22)9-19-16(23)12-4-2-11(3-5-12)15-7-6-13(26-15)8-14-17(24)21-18(25)20-14/h2-8,10,22H,9H2,1H3,(H,19,23)(H2,20,21,24,25)/b14-8+
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445315(CHEMBL3104011)
Show SMILES Fc1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C14H9FN2OS2/c15-9-3-1-8(2-4-9)12-6-5-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
Affinity DataIC50: 6.69E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
TargetPerforin-1(Homo sapiens (Human))
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50445295(CHEMBL3104232)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C17H15N3O2S2/c1-20(2)16(22)11-5-3-10(4-6-11)14-8-7-12(24-14)9-13-15(21)19-17(23)18-13/h3-9H,1-2H3,(H2,18,19,21,23)/b13-9+
Affinity DataIC50: 6.93E+3nMAssay Description:Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated f...More data for this Ligand-Target Pair
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