Compile Data Set for Download or QSAR
Found 50 of affinity data for UniProtKB/TrEMBL: Q91XB0
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550472(US11306098, Example 38)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCc1nc(=O)s[nH]1)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C29H34Cl2N6O3S/c30-22-9-7-19(14-23(22)31)16-33-27(38)24(10-11-26-34-29(40)41-35-26)36-13-12-21(8-6-18-4-2-1-3-5-18)37-17-20(32)15-25(37)28(36)39/h1-5,7,9,14,20-21,24-25H,6,8,10-13,15-17,32H2,(H,33,38)(H,34,35,40)/t20-,21?,24-,25+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550447(US11306098, Example 14A | US11306098, Example 14B)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C28H34Cl2N4O4/c29-22-9-7-19(14-23(22)30)16-32-27(37)24(10-11-26(35)36)33-13-12-21(8-6-18-4-2-1-3-5-18)34-17-20(31)15-25(34)28(33)38/h1-5,7,9,14,20-21,24-25H,6,8,10-13,15-17,31H2,(H,32,37)(H,35,36)/t20-,21?,24-,25+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550473(US11306098, Example 39)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O4S/c1-18(2)14-25(27(35)32-39(37,38)22-10-11-23(29)24(30)16-22)33-13-12-21(9-8-19-6-4-3-5-7-19)34-17-20(31)15-26(34)28(33)36/h3-7,10-11,16,18,20-21,25-26H,8-9,12-15,17,31H2,1-2H3,(H,32,35)/t20-,21?,25-,26+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550479(US11306098, Example 45)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC#N)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C28H33Cl2N5O2/c29-23-11-9-20(15-24(23)30)17-33-27(36)25(7-4-13-31)34-14-12-22(10-8-19-5-2-1-3-6-19)35-18-21(32)16-26(35)28(34)37/h1-3,5-6,9,11,15,21-22,25-26H,4,7-8,10,12,14,16-18,32H2,(H,33,36)/t21-,22?,25-,26+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550433(US11306098, Example 1)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-19(2)14-26(28(36)33-17-21-9-11-24(30)25(31)15-21)34-13-12-23(10-8-20-6-4-3-5-7-20)35-18-22(32)16-27(35)29(34)37/h3-7,9,11,15,19,22-23,26-27H,8,10,12-14,16-18,32H2,1-2H3,(H,33,36)/t22-,23?,26-,27+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550436(US11306098, Example 3)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CO)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C26H32Cl2N4O3/c27-21-9-7-18(12-22(21)28)14-30-25(34)24(16-33)31-11-10-20(8-6-17-4-2-1-3-5-17)32-15-19(29)13-23(32)26(31)35/h1-5,7,9,12,19-20,23-24,33H,6,8,10-11,13-16,29H2,(H,30,34)/t19-,20?,23+,24-/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550439(US11306098, Example 6)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H39F3N4O2/c1-20(2)16-26(28(38)35-18-22-8-11-23(12-9-22)30(31,32)33)36-15-14-25(13-10-21-6-4-3-5-7-21)37-19-24(34)17-27(37)29(36)39/h3-9,11-12,20,24-27H,10,13-19,34H2,1-2H3,(H,35,38)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550438(US11306098, Example 5)
Show SMILES C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H33F3N4O2/c1-18(25(35)32-16-20-7-10-21(11-8-20)27(28,29)30)33-14-13-23(12-9-19-5-3-2-4-6-19)34-17-22(31)15-24(34)26(33)36/h2-8,10-11,18,22-24H,9,12-17,31H2,1H3,(H,32,35)/t18-,22-,23?,24+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550470(US11306098, Example 36)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCc1nnn[nH]1)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C28H34Cl2N8O2/c29-22-9-7-19(14-23(22)30)16-32-27(39)24(10-11-26-33-35-36-34-26)37-13-12-21(8-6-18-4-2-1-3-5-18)38-17-20(31)15-25(38)28(37)40/h1-5,7,9,14,20-21,24-25H,6,8,10-13,15-17,31H2,(H,32,39)(H,33,34,35,36)/t20-,21?,24-,25+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550437(US11306098, Example 4)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C32H36Cl2N4O3/c33-27-13-9-23(16-28(27)34)19-36-31(40)29(17-22-7-11-26(39)12-8-22)37-15-14-25(10-6-21-4-2-1-3-5-21)38-20-24(35)18-30(38)32(37)41/h1-5,7-9,11-13,16,24-25,29-30,39H,6,10,14-15,17-20,35H2,(H,36,40)/t24-,25?,29-,30+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550482(US11306098, Example 48)
Show SMILES Cc1nnc(CC[C@@H](N2CCC(CCc3ccccc3)N3C[C@H](N)C[C@H]3C2=O)C(=O)NCc2ccc(Cl)c(Cl)c2)[nH]1
Show InChI InChI=1S/C30H37Cl2N7O2/c1-19-35-28(37-36-19)12-11-26(29(40)34-17-21-8-10-24(31)25(32)15-21)38-14-13-23(9-7-20-5-3-2-4-6-20)39-18-22(33)16-27(39)30(38)41/h2-6,8,10,15,22-23,26-27H,7,9,11-14,16-18,33H2,1H3,(H,34,40)(H,35,36,37)/t22-,23?,26-,27+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550452(US11306098, Example 18)
Show SMILES CC(C)C[C@@H](N1CCC(CSc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O2S/c1-18(2)12-25(27(35)32-15-19-8-9-23(29)24(30)13-19)33-11-10-21(17-37-22-6-4-3-5-7-22)34-16-20(31)14-26(34)28(33)36/h3-9,13,18,20-21,25-26H,10-12,14-17,31H2,1-2H3,(H,32,35)/t20-,21?,25-,26+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550451(US11306098, Example 17)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(COc1ccccc1)CCN([C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C27H32Cl2N4O5/c28-21-7-6-17(12-22(21)29)14-31-26(36)23(8-9-25(34)35)32-11-10-19(16-38-20-4-2-1-3-5-20)33-15-18(30)13-24(33)27(32)37/h1-7,12,18-19,23-24H,8-11,13-16,30H2,(H,31,36)(H,34,35)/t18-,19?,23-,24+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550450(US11306098, Example 16)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC(N)=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C28H35Cl2N5O3/c29-22-9-7-19(14-23(22)30)16-33-27(37)24(10-11-26(32)36)34-13-12-21(8-6-18-4-2-1-3-5-18)35-17-20(31)15-25(35)28(34)38/h1-5,7,9,14,20-21,24-25H,6,8,10-13,15-17,31H2,(H2,32,36)(H,33,37)/t20-,21?,24-,25+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550449(US11306098, Example 15)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CC(O)=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C27H32Cl2N4O4/c28-21-9-7-18(12-22(21)29)15-31-26(36)23(14-25(34)35)32-11-10-20(8-6-17-4-2-1-3-5-17)33-16-19(30)13-24(33)27(32)37/h1-5,7,9,12,19-20,23-24H,6,8,10-11,13-16,30H2,(H,31,36)(H,34,35)/t19-,20?,23-,24+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550434(US11306098, Example 2A | US11306098, Example 2B)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC(O)=O)C(=O)NCc1ccc(cc1)C(F)(F)F)C2=O
Show InChI InChI=1S/C29H35F3N4O4/c30-29(31,32)21-9-6-20(7-10-21)17-34-27(39)24(12-13-26(37)38)35-15-14-23(11-8-19-4-2-1-3-5-19)36-18-22(33)16-25(36)28(35)40/h1-7,9-10,22-25H,8,11-18,33H2,(H,34,39)(H,37,38)/t22-,23?,24-,25+/m1/s1
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550444(US11306098, Example 11)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccc(Cl)cc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H37Cl3N4O2/c1-18(2)13-26(28(37)34-16-20-6-10-24(31)25(32)14-20)35-12-11-23(9-5-19-3-7-21(30)8-4-19)36-17-22(33)15-27(36)29(35)38/h3-4,6-8,10,14,18,22-23,26-27H,5,9,11-13,15-17,33H2,1-2H3,(H,34,37)/t22-,23?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550443(US11306098, Example 10)
Show SMILES CC(C)C[C@@H](N1CCC(Cc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O2/c1-18(2)12-25(27(35)32-16-20-8-9-23(29)24(30)14-20)33-11-10-22(13-19-6-4-3-5-7-19)34-17-21(31)15-26(34)28(33)36/h3-9,14,18,21-22,25-26H,10-13,15-17,31H2,1-2H3,(H,32,35)/t21-,22?,25-,26+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550442(US11306098, Example 9)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C30H42N4O2/c1-21(2)17-27(29(35)32-19-24-11-9-22(3)10-12-24)33-16-15-26(14-13-23-7-5-4-6-8-23)34-20-25(31)18-28(34)30(33)36/h4-12,21,25-28H,13-20,31H2,1-3H3,(H,32,35)/t25-,26?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550460(US11306098, Example 26)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)15-26(28(35)32-18-22-9-6-10-23(30)16-22)33-14-13-25(12-11-21-7-4-3-5-8-21)34-19-24(31)17-27(34)29(33)36/h3-10,16,20,24-27H,11-15,17-19,31H2,1-2H3,(H,32,35)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550440(US11306098, Example 7)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)N(C)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H41F3N4O2/c1-21(2)17-27(29(39)36(3)19-23-9-12-24(13-10-23)31(32,33)34)37-16-15-26(14-11-22-7-5-4-6-8-22)38-20-25(35)18-28(38)30(37)40/h4-10,12-13,21,25-28H,11,14-20,35H2,1-3H3/t25-,26?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550480(US11306098, Example 46)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)15-26(28(35)32-18-22-9-6-10-23(30)16-22)33-14-13-25(12-11-21-7-4-3-5-8-21)34-19-24(31)17-27(34)29(33)36/h3-10,16,20,24-27H,11-15,17-19,31H2,1-2H3,(H,32,35)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550453(US11306098, Example 19)
Show SMILES CC(C)C[C@@H](N1CCC(COc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O3/c1-18(2)12-25(27(35)32-15-19-8-9-23(29)24(30)13-19)33-11-10-21(17-37-22-6-4-3-5-7-22)34-16-20(31)14-26(34)28(33)36/h3-9,13,18,20-21,25-26H,10-12,14-17,31H2,1-2H3,(H,32,35)/t20-,21?,25-,26+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550465(US11306098, Example 31)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H38Cl2N4O2/c1-19(2)14-26(28(36)33-17-21-9-10-22(30)15-25(21)31)34-13-12-24(11-8-20-6-4-3-5-7-20)35-18-23(32)16-27(35)29(34)37/h3-7,9-10,15,19,23-24,26-27H,8,11-14,16-18,32H2,1-2H3,(H,33,36)/t23-,24?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550467(US11306098, Example 33)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-19(2)12-26(28(36)33-17-21-13-22(30)15-23(31)14-21)34-11-10-25(9-8-20-6-4-3-5-7-20)35-18-24(32)16-27(35)29(34)37/h3-7,13-15,19,24-27H,8-12,16-18,32H2,1-2H3,(H,33,36)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550468(US11306098, Example 34)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C29H39FN4O2/c1-20(2)16-26(28(35)32-18-22-8-11-23(30)12-9-22)33-15-14-25(13-10-21-6-4-3-5-7-21)34-19-24(31)17-27(34)29(33)36/h3-9,11-12,20,24-27H,10,13-19,31H2,1-2H3,(H,32,35)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550469(US11306098, Example 35)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H38N4O4S/c1-20(2)17-25(27(33)30-37(35,36)24-11-7-4-8-12-24)31-16-15-23(14-13-21-9-5-3-6-10-21)32-19-22(29)18-26(32)28(31)34/h3-12,20,22-23,25-26H,13-19,29H2,1-2H3,(H,30,33)/t22-,23?,25-,26+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550471(US11306098, Example 37)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-20(2)16-27(29(37)34-14-12-22-9-11-25(31)26(32)17-22)35-15-13-24(10-8-21-6-4-3-5-7-21)36-19-23(33)18-28(36)30(35)38/h3-7,9,11,17,20,23-24,27-28H,8,10,12-16,18-19,33H2,1-2H3,(H,34,37)/t23-,24?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550474(US11306098, Example 40)
Show SMILES CCC[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H34Cl2N4O4S/c1-2-6-24(26(34)31-38(36,37)21-11-12-22(28)23(29)16-21)32-14-13-20(10-9-18-7-4-3-5-8-18)33-17-19(30)15-25(33)27(32)35/h3-5,7-8,11-12,16,19-20,24-25H,2,6,9-10,13-15,17,30H2,1H3,(H,31,34)/t19-,20?,24-,25+/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550476(US11306098, Example 42)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O
Show InChI InChI=1S/C29H38Cl2N4O2/c1-19(2)14-27(33-28(36)16-21-9-11-24(30)25(31)15-21)34-13-12-23(10-8-20-6-4-3-5-7-20)35-18-22(32)17-26(35)29(34)37/h3-7,9,11,15,19,22-23,26-27H,8,10,12-14,16-18,32H2,1-2H3,(H,33,36)/t22-,23?,26+,27-/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550477(US11306098, Example 43 | US11306098, Example 44)
Show SMILES CC(C)C[C@@H](N1CCC(C=[S+](C)([O-])c2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O3S/c1-19(2)13-26(28(36)33-16-20-9-10-24(30)25(31)14-20)34-12-11-22(35-17-21(32)15-27(35)29(34)37)18-39(3,38)23-7-5-4-6-8-23/h4-10,14,18-19,21-22,26-27H,11-13,15-17,32H2,1-3H3,(H-,33,36,38)/t21-,22?,26-,27+,39?/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550477(US11306098, Example 43 | US11306098, Example 44)
Show SMILES CC(C)C[C@@H](N1CCC(C=[S+](C)([O-])c2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H38Cl2N4O3S/c1-19(2)13-26(28(36)33-16-20-9-10-24(30)25(31)14-20)34-12-11-22(35-17-21(32)15-27(35)29(34)37)18-39(3,38)23-7-5-4-6-8-23/h4-10,14,18-19,21-22,26-27H,11-13,15-17,32H2,1-3H3,(H-,33,36,38)/t21-,22?,26-,27+,39?/m1/s1
Affinity DataIC50: 5.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550475(US11306098, Example 41)
Show SMILES CC(C)C[C@@H](N1CCC(CS(=O)(=O)c2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O4S/c1-18(2)12-25(27(35)32-15-19-8-9-23(29)24(30)13-19)33-11-10-21(34-16-20(31)14-26(34)28(33)36)17-39(37,38)22-6-4-3-5-7-22/h3-9,13,18,20-21,25-26H,10-12,14-17,31H2,1-2H3,(H,32,35)/t20-,21?,25-,26+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550466(US11306098, Example 32)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H39N5O2/c1-21(2)16-27(29(36)33-19-24-10-8-23(18-31)9-11-24)34-15-14-26(13-12-22-6-4-3-5-7-22)35-20-25(32)17-28(35)30(34)37/h3-11,21,25-28H,12-17,19-20,32H2,1-2H3,(H,33,36)/t25-,26?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550464(US11306098, Example 30)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cscn1
Show InChI InChI=1S/C26H37N5O2S/c1-18(2)12-23(25(32)28-14-21-16-34-17-29-21)30-11-10-22(9-8-19-6-4-3-5-7-19)31-15-20(27)13-24(31)26(30)33/h3-7,16-18,20,22-24H,8-15,27H2,1-2H3,(H,28,32)/t20-,22?,23-,24+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550463(US11306098, Example 29)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cncs1
Show InChI InChI=1S/C26H37N5O2S/c1-18(2)12-23(25(32)29-15-22-14-28-17-34-22)30-11-10-21(9-8-19-6-4-3-5-7-19)31-16-20(27)13-24(31)26(30)33/h3-7,14,17-18,20-21,23-24H,8-13,15-16,27H2,1-2H3,(H,29,32)/t20-,21?,23-,24+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550462(US11306098, Example 28)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1cnccn1
Show InChI InChI=1S/C27H38N6O2/c1-19(2)14-24(26(34)31-17-22-16-29-11-12-30-22)32-13-10-23(9-8-20-6-4-3-5-7-20)33-18-21(28)15-25(33)27(32)35/h3-7,11-12,16,19,21,23-25H,8-10,13-15,17-18,28H2,1-2H3,(H,31,34)/t21-,23?,24-,25+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550461(US11306098, Example 27)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)16-26(28(35)32-18-22-10-6-7-11-25(22)30)33-15-14-24(13-12-21-8-4-3-5-9-21)34-19-23(31)17-27(34)29(33)36/h3-11,20,23-24,26-27H,12-19,31H2,1-2H3,(H,32,35)/t23-,24?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550459(US11306098, Example 25)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H42N4O2/c1-21(2)18-27(29(35)32-22(3)24-12-8-5-9-13-24)33-17-16-26(15-14-23-10-6-4-7-11-23)34-20-25(31)19-28(34)30(33)36/h4-13,21-22,25-28H,14-20,31H2,1-3H3,(H,32,35)/t22-,25+,26?,27+,28-/m0/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550458(US11306098, Example 24)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H42N4O2/c1-21(2)18-27(29(35)32-22(3)24-12-8-5-9-13-24)33-17-16-26(15-14-23-10-6-4-7-11-23)34-20-25(31)19-28(34)30(33)36/h4-13,21-22,25-28H,14-20,31H2,1-3H3,(H,32,35)/t22-,25-,26?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550457(US11306098, Example 23)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N4O2/c1-22(2)19-27(29(35)32-17-15-24-11-7-4-8-12-24)33-18-16-26(14-13-23-9-5-3-6-10-23)34-21-25(31)20-28(34)30(33)36/h3-12,22,25-28H,13-21,31H2,1-2H3,(H,32,35)/t25-,26?,27-,28+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550456(US11306098, Example 22)
Show SMILES CC(C)C[C@@H](N1CC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H36Cl2N4O2/c1-18(2)12-25(27(35)32-15-20-9-11-23(29)24(30)13-20)34-17-22(10-8-19-6-4-3-5-7-19)33-16-21(31)14-26(33)28(34)36/h3-7,9,11,13,18,21-22,25-26H,8,10,12,14-17,31H2,1-2H3,(H,32,35)/t21-,22?,25-,26+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550454((2R)-2-((8R,9aS)-8-acetamido-1-oxo-5-phenethylhexa...)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@@H](C[C@H]2C1=O)NC(C)=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H40Cl2N4O3/c1-20(2)15-28(30(39)34-18-23-10-12-26(32)27(33)16-23)36-14-13-25(11-9-22-7-5-4-6-8-22)37-19-24(35-21(3)38)17-29(37)31(36)40/h4-8,10,12,16,20,24-25,28-29H,9,11,13-15,17-19H2,1-3H3,(H,34,39)(H,35,38)/t24-,25?,28-,29+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550447(US11306098, Example 14A | US11306098, Example 14B)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC(O)=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C2=O
Show InChI InChI=1S/C28H34Cl2N4O4/c29-22-9-7-19(14-23(22)30)16-32-27(37)24(10-11-26(35)36)33-13-12-21(8-6-18-4-2-1-3-5-18)34-17-20(31)15-25(34)28(33)38/h1-5,7,9,14,20-21,24-25H,6,8,10-13,15-17,31H2,(H,32,37)(H,35,36)/t20-,21?,24-,25+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550446(US11306098, Example 13)
Show SMILES CC(C)C[C@@H](N1CCC(C)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N4O2/c1-13(2)8-19(21(29)26-11-15-4-5-17(23)18(24)9-15)27-7-6-14(3)28-12-16(25)10-20(28)22(27)30/h4-5,9,13-14,16,19-20H,6-8,10-12,25H2,1-3H3,(H,26,29)/t14?,16-,19-,20+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550445(US11306098, Example 12)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C29H46N4O2/c1-21(2)17-26(28(34)31-19-23-11-7-4-8-12-23)32-16-15-25(14-13-22-9-5-3-6-10-22)33-20-24(30)18-27(33)29(32)35/h3,5-6,9-10,21,23-27H,4,7-8,11-20,30H2,1-2H3,(H,31,34)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550441(US11306098, Example 8)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@H](N)C[C@H]2C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H40N4O2/c1-21(2)17-26(28(34)31-19-23-11-7-4-8-12-23)32-16-15-25(14-13-22-9-5-3-6-10-22)33-20-24(30)18-27(33)29(32)35/h3-12,21,24-27H,13-20,30H2,1-2H3,(H,31,34)/t24-,25?,26-,27+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550434(US11306098, Example 2A | US11306098, Example 2B)
Show SMILES N[C@@H]1C[C@@H]2N(C1)C(CCc1ccccc1)CCN([C@H](CCC(O)=O)C(=O)NCc1ccc(cc1)C(F)(F)F)C2=O
Show InChI InChI=1S/C29H35F3N4O4/c30-29(31,32)21-9-6-20(7-10-21)17-34-27(39)24(12-13-26(37)38)35-15-14-23(11-8-19-4-2-1-3-5-19)36-18-22(33)16-25(36)28(35)40/h1-7,9-10,22-25H,8,11-18,33H2,(H,34,39)(H,37,38)/t22-,23?,24-,25+/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550481(US11306098, Example 47)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N(CCN)CC1=O)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H38Cl2N4O2/c1-20(2)16-26(28(36)32-18-22-9-11-24(29)25(30)17-22)34-14-12-23(33(15-13-31)19-27(34)35)10-8-21-6-4-3-5-7-21/h3-7,9,11,17,20,23,26H,8,10,12-16,18-19,31H2,1-2H3,(H,32,36)/t23?,26-/m1/s1
Affinity DataIC50: 5.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThree-prime repair exonuclease 1(Mouse)
Venenum Biodesign, LLC

US Patent
LigandPNGBDBM550455((2R)—N-(3,4-dichlorobenzyl)-2-((8R,9aS)-8-(di...)
Show SMILES CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@@H](C[C@H]2C1=O)N(C)C)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-21(2)16-28(30(38)34-19-23-11-13-26(32)27(33)17-23)36-15-14-24(12-10-22-8-6-5-7-9-22)37-20-25(35(3)4)18-29(37)31(36)39/h5-9,11,13,17,21,24-25,28-29H,10,12,14-16,18-20H2,1-4H3,(H,34,38)/t24?,25-,28-,29+/m1/s1
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid