Compile Data Set for Download or QSAR
Found 53 of affinity data for UniProtKB/TrEMBL: P46598
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551730(US11312722, Compound 20)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C=O)cc1
Show InChI InChI=1S/C19H19N3O4/c1-12-7-19(20-17-8-14(24)9-18(25)16(17)11-23)22(21-12)10-13-3-5-15(26-2)6-4-13/h3-9,11,20,24-25H,10H2,1-2H3
Affinity DataEC50:  11nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551842(US11312722, Compound 132)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H19F3N6O4/c1-31-20(8-16(30-31)12-2-4-15(5-3-12)36-23(24,25)26)28-17-6-14(33)7-19(34)21(17)22(35)32-10-13-9-27-29-18(13)11-32/h2-9,28,33-34H,10-11H2,1H3,(H,27,29)
Affinity DataEC50:  16nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551732(US11312722, Compound 22)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)cc1
Show InChI InChI=1S/C26H25N5O4/c1-16-10-24(31(29-16)13-17-5-7-20(35-2)8-6-17)28-21-11-19(32)12-23(33)25(21)26(34)30-14-18-4-3-9-27-22(18)15-30/h3-12,28,32-33H,13-15H2,1-2H3
Affinity DataEC50:  184nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551733(US11312722, Compound 23)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H27N5O4/c1-40-24-11-9-20(10-12-24)17-36-29(16-25(34-36)21-6-3-2-4-7-21)33-26-14-23(37)15-28(38)30(26)31(39)35-18-22-8-5-13-32-27(22)19-35/h2-16,33,37-38H,17-19H2,1H3
Affinity DataEC50:  68nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551734(US11312722, Compound 24)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)cc1
Show InChI InChI=1S/C24H24N6O4/c1-14-7-22(30(28-14)11-15-3-5-18(34-2)6-4-15)26-19-8-17(31)9-21(32)23(19)24(33)29-12-16-10-25-27-20(16)13-29/h3-10,26,31-32H,11-13H2,1-2H3,(H,25,27)
Affinity DataEC50:  157nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551735(US11312722, Compound 25)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H26N6O4/c1-39-22-9-7-18(8-10-22)15-35-27(13-23(33-35)19-5-3-2-4-6-19)31-24-11-21(36)12-26(37)28(24)29(38)34-16-20-14-30-32-25(20)17-34/h2-14,31,36-37H,15-17H2,1H3,(H,30,32)
Affinity DataEC50:  63nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551736(US11312722, Compound 26)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccc(F)c3C2)cc1
Show InChI InChI=1S/C27H25FN4O4/c1-16-10-25(32(30-16)13-17-6-8-20(36-2)9-7-17)29-23-11-19(33)12-24(34)26(23)27(35)31-14-18-4-3-5-22(28)21(18)15-31/h3-12,29,33-34H,13-15H2,1-2H3
Affinity DataEC50:  117nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551737(US11312722, Compound 27)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccc(F)c3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C32H27FN4O4/c1-41-24-12-10-20(11-13-24)17-37-30(16-27(35-37)21-6-3-2-4-7-21)34-28-14-23(38)15-29(39)31(28)32(40)36-18-22-8-5-9-26(33)25(22)19-36/h2-16,34,38-39H,17-19H2,1H3
Affinity DataEC50:  1.09E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551738(US11312722, Compound 28)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C27H25FN4O4/c1-16-9-25(32(30-16)13-17-3-7-22(36-2)8-4-17)29-23-11-21(33)12-24(34)26(23)27(35)31-14-18-5-6-20(28)10-19(18)15-31/h3-12,29,33-34H,13-15H2,1-2H3
Affinity DataEC50:  54nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551739(US11312722, Compound 29)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(F)cc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C32H27FN4O4/c1-41-26-11-7-20(8-12-26)17-37-30(16-27(35-37)21-5-3-2-4-6-21)34-28-14-25(38)15-29(39)31(28)32(40)36-18-22-9-10-24(33)13-23(22)19-36/h2-16,34,38-39H,17-19H2,1H3
Affinity DataEC50:  1.04E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551740(US11312722, Compound 30)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N(C)CC2CC2)cc1
Show InChI InChI=1S/C24H28N4O4/c1-15-10-22(28(26-15)14-17-6-8-19(32-3)9-7-17)25-20-11-18(29)12-21(30)23(20)24(31)27(2)13-16-4-5-16/h6-12,16,25,29-30H,4-5,13-14H2,1-3H3
Affinity DataEC50: >9.00E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551741(US11312722, Compound 31)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N(C)CC2CC2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O4/c1-32(17-19-8-9-19)29(36)28-25(14-22(34)15-26(28)35)30-27-16-24(21-6-4-3-5-7-21)31-33(27)18-20-10-12-23(37-2)13-11-20/h3-7,10-16,19,30,34-35H,8-9,17-18H2,1-2H3
Affinity DataEC50: >9.00E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551742(US11312722, Compound 32)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(NC4CCN(C)CC4)cc3C2)cc1
Show InChI InChI=1S/C33H38N6O4/c1-21-14-31(39(36-21)18-22-4-8-28(43-3)9-5-22)35-29-16-27(40)17-30(41)32(29)33(42)38-19-23-6-7-26(15-24(23)20-38)34-25-10-12-37(2)13-11-25/h4-9,14-17,25,34-35,40-41H,10-13,18-20H2,1-3H3
Affinity DataEC50:  171nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551743(US11312722, Compound 33)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(NC4CCN(C)CC4)cc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C38H40N6O4/c1-42-16-14-29(15-17-42)39-30-11-10-27-23-43(24-28(27)18-30)38(47)37-34(19-31(45)20-35(37)46)40-36-21-33(26-6-4-3-5-7-26)41-44(36)22-25-8-12-32(48-2)13-9-25/h3-13,18-21,29,39-40,45-46H,14-17,22-24H2,1-2H3
Affinity DataEC50:  23nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551744(US11312722, Compound 34)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(OCCN(C)C)cc3C2)cc1
Show InChI InChI=1S/C31H35N5O5/c1-20-13-29(36(33-20)17-21-5-8-25(40-4)9-6-21)32-27-15-24(37)16-28(38)30(27)31(39)35-18-22-7-10-26(14-23(22)19-35)41-12-11-34(2)3/h5-10,13-16,32,37-38H,11-12,17-19H2,1-4H3
Affinity DataEC50:  115nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551745(US11312722, Compound 35)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(OCCN(C)C)cc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C36H37N5O5/c1-39(2)15-16-46-30-14-11-26-22-40(23-27(26)17-30)36(44)35-32(18-28(42)19-33(35)43)37-34-20-31(25-7-5-4-6-8-25)38-41(34)21-24-9-12-29(45-3)13-10-24/h4-14,17-20,37,42-43H,15-16,21-23H2,1-3H3
Affinity DataEC50:  14nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551746(US11312722, Compound 36)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(cc3C2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C32H36N6O4/c1-21-14-30(38(34-21)18-22-4-8-27(42-3)9-5-22)33-28-16-26(39)17-29(40)31(28)32(41)37-19-23-6-7-25(15-24(23)20-37)36-12-10-35(2)11-13-36/h4-9,14-17,33,39-40H,10-13,18-20H2,1-3H3
Affinity DataEC50:  143nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551747(US11312722, Compound 37)
Show SMILES COc1ccc(Cn2nc(C)cc2Nc2cc(O)cc(O)c2C(=O)N(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O4/c1-18-13-25(31(29-18)17-20-9-11-22(35-3)12-10-20)28-23-14-21(32)15-24(33)26(23)27(34)30(2)16-19-7-5-4-6-8-19/h4-15,28,32-33H,16-17H2,1-3H3
Affinity DataEC50: >6.00E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551748(US11312722, Compound 38)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2CCCC2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H28N4O4/c1-36-22-11-9-19(10-12-22)18-32-26(17-23(30-32)20-7-3-2-4-8-20)29-24-15-21(33)16-25(34)27(24)28(35)31-13-5-6-14-31/h2-4,7-12,15-17,29,33-34H,5-6,13-14,18H2,1H3
Affinity DataEC50:  282nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551749(US11312722, Compound 39)
Show SMILES CCN(CC)C(=O)c1c(O)cc(O)cc1Nc1cc(nn1Cc1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O4/c1-4-31(5-2)28(35)27-24(15-21(33)16-25(27)34)29-26-17-23(20-9-7-6-8-10-20)30-32(26)18-19-11-13-22(36-3)14-12-19/h6-17,29,33-34H,4-5,18H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551810(US11312722, Compound 100)
Show SMILES CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C22H24N4O3/c1-13(2)17-10-20(25(3)24-17)23-18-8-16(27)9-19(28)21(18)22(29)26-11-14-6-4-5-7-15(14)12-26/h4-10,13,23,27-28H,11-12H2,1-3H3
Affinity DataEC50:  48nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551811(US11312722, Compound 101)
Show SMILES CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C21H23N5O3/c1-12(2)15-9-19(25(3)24-15)23-16-7-14(27)8-18(28)20(16)21(29)26-10-13-5-4-6-22-17(13)11-26/h4-9,12,23,27-28H,10-11H2,1-3H3
Affinity DataEC50:  156nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551812(US11312722, Compound 102)
Show SMILES CC(C)c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C19H22N6O3/c1-10(2)13-6-17(24(3)23-13)21-14-4-12(26)5-16(27)18(14)19(28)25-8-11-7-20-22-15(11)9-25/h4-7,10,21,26-27H,8-9H2,1-3H3,(H,20,22)
Affinity DataEC50:  94nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551813(US11312722, Compound 103)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1)C1CCCCC1
Show InChI InChI=1S/C25H28N4O3/c1-28-23(13-20(27-28)16-7-3-2-4-8-16)26-21-11-19(30)12-22(31)24(21)25(32)29-14-17-9-5-6-10-18(17)15-29/h5-6,9-13,16,26,30-31H,2-4,7-8,14-15H2,1H3
Affinity DataEC50:  33nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551814(US11312722, Compound 104)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1)C1CCCCC1
Show InChI InChI=1S/C24H27N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h5,8-12,15,26,30-31H,2-4,6-7,13-14H2,1H3
Affinity DataEC50:  670nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551815(US11312722, Compound 105)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1)C1CCCCC1
Show InChI InChI=1S/C22H26N6O3/c1-27-20(9-16(26-27)13-5-3-2-4-6-13)24-17-7-15(29)8-19(30)21(17)22(31)28-11-14-10-23-25-18(14)12-28/h7-10,13,24,29-30H,2-6,11-12H2,1H3,(H,23,25)
Affinity DataEC50:  96nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551816(US11312722, Compound 106)
Show SMILES Cc1ccccc1-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Affinity DataEC50:  599nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551817(US11312722, Compound 107)
Show SMILES Cc1ccccc1-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C25H23N5O3/c1-15-6-3-4-8-18(15)19-12-23(29(2)28-19)27-20-10-17(31)11-22(32)24(20)25(33)30-13-16-7-5-9-26-21(16)14-30/h3-12,27,31-32H,13-14H2,1-2H3
Affinity DataEC50:  795nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551818(US11312722, Compound 108)
Show SMILES Cc1ccccc1-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C23H22N6O3/c1-13-5-3-4-6-16(13)17-9-21(28(2)27-17)25-18-7-15(30)8-20(31)22(18)23(32)29-11-14-10-24-26-19(14)12-29/h3-10,25,30-31H,11-12H2,1-2H3,(H,24,26)
Affinity DataEC50:  398nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551819(US11312722, Compound 109)
Show SMILES Cc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C26H24N4O3/c1-16-6-5-9-17(10-16)21-13-24(29(2)28-21)27-22-11-20(31)12-23(32)25(22)26(33)30-14-18-7-3-4-8-19(18)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Affinity DataEC50:  573nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551820(US11312722, Compound 110)
Show SMILES Cc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C25H23N5O3/c1-15-5-3-6-16(9-15)19-12-23(29(2)28-19)27-20-10-18(31)11-22(32)24(20)25(33)30-13-17-7-4-8-26-21(17)14-30/h3-12,27,31-32H,13-14H2,1-2H3
Affinity DataEC50:  1.03E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551821(US11312722, Compound 111)
Show SMILES Cc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C23H22N6O3/c1-13-4-3-5-14(6-13)17-9-21(28(2)27-17)25-18-7-16(30)8-20(31)22(18)23(32)29-11-15-10-24-26-19(15)12-29/h3-10,25,30-31H,11-12H2,1-2H3,(H,24,26)
Affinity DataEC50:  396nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551822(US11312722, Compound 112)
Show SMILES COc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Affinity DataEC50:  1.64E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551823(US11312722, Compound 113)
Show SMILES COc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C25H23N5O4/c1-29-23(12-19(28-29)15-5-3-7-18(9-15)34-2)27-20-10-17(31)11-22(32)24(20)25(33)30-13-16-6-4-8-26-21(16)14-30/h3-12,27,31-32H,13-14H2,1-2H3
Affinity DataEC50:  5.00E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551824(US11312722, Compound 114)
Show SMILES COc1cccc(c1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C23H22N6O4/c1-28-21(9-17(27-28)13-4-3-5-16(6-13)33-2)25-18-7-15(30)8-20(31)22(18)23(32)29-11-14-10-24-26-19(14)12-29/h3-10,25,30-31H,11-12H2,1-2H3,(H,24,26)
Affinity DataEC50:  1.88E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551825(US11312722, Compound 115)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O3/c1-32-23(12-20(31-32)15-7-4-8-18(9-15)26(27,28)29)30-21-10-19(34)11-22(35)24(21)25(36)33-13-16-5-2-3-6-17(16)14-33/h2-12,30,34-35H,13-14H2,1H3
Affinity DataEC50:  2.24E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551826(US11312722, Compound 116)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O3/c1-32-22(11-18(31-32)14-4-2-6-16(8-14)25(26,27)28)30-19-9-17(34)10-21(35)23(19)24(36)33-12-15-5-3-7-29-20(15)13-33/h2-11,30,34-35H,12-13H2,1H3
Affinity DataEC50:  594nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551827(US11312722, Compound 117)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N6O3/c1-31-20(8-16(30-31)12-3-2-4-14(5-12)23(24,25)26)28-17-6-15(33)7-19(34)21(17)22(35)32-10-13-9-27-29-18(13)11-32/h2-9,28,33-34H,10-11H2,1H3,(H,27,29)
Affinity DataEC50:  294nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551828(US11312722, Compound 118)
Show SMILES Cc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C26H24N4O3/c1-16-7-9-17(10-8-16)21-13-24(29(2)28-21)27-22-11-20(31)12-23(32)25(22)26(33)30-14-18-5-3-4-6-19(18)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Affinity DataEC50:  1.07E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551829(US11312722, Compound 119)
Show SMILES Cc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C25H23N5O3/c1-15-5-7-16(8-6-15)19-12-23(29(2)28-19)27-20-10-18(31)11-22(32)24(20)25(33)30-13-17-4-3-9-26-21(17)14-30/h3-12,27,31-32H,13-14H2,1-2H3
Affinity DataEC50:  1.78E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551830(US11312722, Compound 120)
Show SMILES Cc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C23H22N6O3/c1-13-3-5-14(6-4-13)17-9-21(28(2)27-17)25-18-7-16(30)8-20(31)22(18)23(32)29-11-15-10-24-26-19(15)12-29/h3-10,25,30-31H,11-12H2,1-2H3,(H,24,26)
Affinity DataEC50:  636nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551831(US11312722, Compound 121)
Show SMILES COc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)n(C)n1
Show InChI InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-7-9-20(34-2)10-8-16)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-5-3-4-6-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3
Affinity DataEC50:  186nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551832(US11312722, Compound 122)
Show SMILES COc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(C)n1
Show InChI InChI=1S/C25H23N5O4/c1-29-23(12-19(28-29)15-5-7-18(34-2)8-6-15)27-20-10-17(31)11-22(32)24(20)25(33)30-13-16-4-3-9-26-21(16)14-30/h3-12,27,31-32H,13-14H2,1-2H3
Affinity DataEC50:  1.14E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551833(US11312722, Compound 123)
Show SMILES COc1ccc(cc1)-c1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)n(C)n1
Show InChI InChI=1S/C23H22N6O4/c1-28-21(9-17(27-28)13-3-5-16(33-2)6-4-13)25-18-7-15(30)8-20(31)22(18)23(32)29-11-14-10-24-26-19(14)12-29/h3-10,25,30-31H,11-12H2,1-2H3,(H,24,26)
Affinity DataEC50:  376nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551834(US11312722, Compound 124)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O3/c1-32-23(12-20(31-32)15-6-8-18(9-7-15)26(27,28)29)30-21-10-19(34)11-22(35)24(21)25(36)33-13-16-4-2-3-5-17(16)14-33/h2-12,30,34-35H,13-14H2,1H3
Affinity DataEC50:  1.08E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551835(US11312722, Compound 125)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O3/c1-32-22(11-18(31-32)14-4-6-16(7-5-14)25(26,27)28)30-19-9-17(34)10-21(35)23(19)24(36)33-12-15-3-2-8-29-20(15)13-33/h2-11,30,34-35H,12-13H2,1H3
Affinity DataEC50:  319nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551836(US11312722, Compound 126)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N6O3/c1-31-20(8-16(30-31)12-2-4-14(5-3-12)23(24,25)26)28-17-6-15(33)7-19(34)21(17)22(35)32-10-13-9-27-29-18(13)11-32/h2-9,28,33-34H,10-11H2,1H3,(H,27,29)
Affinity DataEC50:  103nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551837(US11312722, Compound 127)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H30N4O3/c1-29(2,3)21-11-9-18(10-12-21)23-15-26(32(4)31-23)30-24-13-22(34)14-25(35)27(24)28(36)33-16-19-7-5-6-8-20(19)17-33/h5-15,30,34-35H,16-17H2,1-4H3
Affinity DataEC50:  1.20E+3nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551838(US11312722, Compound 128)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H29N5O3/c1-28(2,3)19-9-7-17(8-10-19)21-14-25(32(4)31-21)30-22-12-20(34)13-24(35)26(22)27(36)33-15-18-6-5-11-29-23(18)16-33/h5-14,30,34-35H,15-16H2,1-4H3
Affinity DataEC50:  237nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein 90 homolog(Yeast)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551839(US11312722, Compound 129)
Show SMILES Cn1nc(cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H28N6O3/c1-26(2,3)17-7-5-15(6-8-17)19-11-23(31(4)30-19)28-20-9-18(33)10-22(34)24(20)25(35)32-13-16-12-27-29-21(16)14-32/h5-12,28,33-34H,13-14H2,1-4H3,(H,27,29)
Affinity DataEC50:  71nMAssay Description:EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoforma...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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