Compile Data Set for Download or QSAR
Found 113 of affinity data for UniProtKB/TrEMBL: F5H9H0
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  40nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551731(US11312722, Compound 21)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N4O4/c1-40-26-13-11-21(12-14-26)18-36-30(17-27(34-36)22-7-3-2-4-8-22)33-28-15-25(37)16-29(38)31(28)32(39)35-19-23-9-5-6-10-24(23)20-35/h2-17,33,37-38H,18-20H2,1H3
Affinity DataEC50:  877nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  87nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  142nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  121nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  109nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  787nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  592nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  705nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  1.33E+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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  146nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  86nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  91nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  4.81E+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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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:  464nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551750(US11312722, Compound 40)
Show SMILES COc1ccc(Cn2nccc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H24N4O4/c1-34-21-8-6-17(7-9-21)14-30-24(10-11-27-30)28-22-12-20(31)13-23(32)25(22)26(33)29-15-18-4-2-3-5-19(18)16-29/h2-13,28,31-32H,14-16H2,1H3
Affinity DataEC50:  72nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551751(US11312722, Compound 41)
Show SMILES COc1ccc(Cn2ncc(C)c2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C27H26N4O4/c1-17-13-28-31(14-18-7-9-22(35-2)10-8-18)26(17)29-23-11-21(32)12-24(33)25(23)27(34)30-15-19-5-3-4-6-20(19)16-30/h3-13,29,32-33H,14-16H2,1-2H3
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551752(US11312722, Compound 42)
Show SMILES COc1ccc(Cn2ncc(C(C)C)c2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C29H30N4O4/c1-18(2)24-14-30-33(15-19-8-10-23(37-3)11-9-19)28(24)31-25-12-22(34)13-26(35)27(25)29(36)32-16-20-6-4-5-7-21(20)17-32/h4-14,18,31,34-35H,15-17H2,1-3H3
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551753(US11312722, Compound 43)
Show SMILES COc1ccc(Cn2ncc(c2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N4O4/c1-40-26-13-11-21(12-14-26)18-36-31(27(17-33-36)22-7-3-2-4-8-22)34-28-15-25(37)16-29(38)30(28)32(39)35-19-23-9-5-6-10-24(23)20-35/h2-17,34,37-38H,18-20H2,1H3
Affinity DataEC50:  1.62E+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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551754(US11312722, Compound 44)
Show SMILES COc1ccc(Cn2ncc(Cc3ccccc3)c2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C33H30N4O4/c1-41-28-13-11-23(12-14-28)19-37-32(26(18-34-37)15-22-7-3-2-4-8-22)35-29-16-27(38)17-30(39)31(29)33(40)36-20-24-9-5-6-10-25(24)21-36/h2-14,16-18,35,38-39H,15,19-21H2,1H3
Affinity DataEC50:  1.76E+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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551755(US11312722, Compound 45)
Show SMILES CCc1cc(Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)n(Cc2ccc(OC)cc2)n1
Show InChI InChI=1S/C27H27N5O4/c1-3-19-11-25(32(30-19)14-17-6-8-21(36-2)9-7-17)29-22-12-20(33)13-24(34)26(22)27(35)31-15-18-5-4-10-28-23(18)16-31/h4-13,29,33-34H,3,14-16H2,1-2H3
Affinity DataEC50:  22nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551756(US11312722, Compound 46)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)C(C)C)cc1
Show InChI InChI=1S/C26H28N6O4/c1-15(2)20-10-24(32(30-20)12-16-4-6-19(36-3)7-5-16)28-21-8-18(33)9-23(34)25(21)26(35)31-13-17-11-27-29-22(17)14-31/h4-11,15,28,33-34H,12-14H2,1-3H3,(H,27,29)
Affinity DataEC50:  25nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551757(US11312722, Compound 47)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)C(C)C)cc1
Show InChI InChI=1S/C28H29N5O4/c1-17(2)22-13-26(33(31-22)14-18-6-8-21(37-3)9-7-18)30-23-11-20(34)12-25(35)27(23)28(36)32-15-19-5-4-10-29-24(19)16-32/h4-13,17,30,34-35H,14-16H2,1-3H3
Affinity DataEC50:  25nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551758(US11312722, Compound 48)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H30N6O4/c1-27(2,3)23-11-24(33(31-23)13-16-5-7-19(37-4)8-6-16)29-20-9-18(34)10-22(35)25(20)26(36)32-14-17-12-28-30-21(17)15-32/h5-12,29,34-35H,13-15H2,1-4H3,(H,28,30)
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551759(US11312722, Compound 49)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccccc3C2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H32N4O4/c1-30(2,3)26-15-27(34(32-26)16-19-9-11-23(38-4)12-10-19)31-24-13-22(35)14-25(36)28(24)29(37)33-17-20-7-5-6-8-21(20)18-33/h5-15,31,35-36H,16-18H2,1-4H3
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551760(US11312722, Compound 50)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)C2CC2)cc1
Show InChI InChI=1S/C28H27N5O4/c1-37-21-8-4-17(5-9-21)14-33-26(13-22(31-33)18-6-7-18)30-23-11-20(34)12-25(35)27(23)28(36)32-15-19-3-2-10-29-24(19)16-32/h2-5,8-13,18,30,34-35H,6-7,14-16H2,1H3
Affinity DataEC50:  26nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551761(US11312722, Compound 51)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)C2CC2)cc1
Show InChI InChI=1S/C26H26N6O4/c1-36-19-6-2-15(3-7-19)12-32-24(10-20(30-32)16-4-5-16)28-21-8-18(33)9-23(34)25(21)26(35)31-13-17-11-27-29-22(17)14-31/h2-3,6-11,16,28,33-34H,4-5,12-14H2,1H3,(H,27,29)
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551762(US11312722, Compound 52)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)C2CCCC2)cc1
Show InChI InChI=1S/C30H31N5O4/c1-39-23-10-8-19(9-11-23)16-35-28(15-24(33-35)20-5-2-3-6-20)32-25-13-22(36)14-27(37)29(25)30(38)34-17-21-7-4-12-31-26(21)18-34/h4,7-15,20,32,36-37H,2-3,5-6,16-18H2,1H3
Affinity DataEC50:  21nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551763(US11312722, Compound 53)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)C2CCCC2)cc1
Show InChI InChI=1S/C28H30N6O4/c1-38-21-8-6-17(7-9-21)14-34-26(12-22(32-34)18-4-2-3-5-18)30-23-10-20(35)11-25(36)27(23)28(37)33-15-19-13-29-31-24(19)16-33/h6-13,18,30,35-36H,2-5,14-16H2,1H3,(H,29,31)
Affinity DataEC50:  41nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551764(US11312722, Compound 54)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cccnc3C2)-c2ccoc2)cc1
Show InChI InChI=1S/C29H25N5O5/c1-38-22-6-4-18(5-7-22)14-34-27(13-23(32-34)20-8-10-39-17-20)31-24-11-21(35)12-26(36)28(24)29(37)33-15-19-3-2-9-30-25(19)16-33/h2-13,17,31,35-36H,14-16H2,1H3
Affinity DataEC50:  39nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551765(US11312722, Compound 55)
Show SMILES COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3cn[nH]c3C2)-c2ccoc2)cc1
Show InChI InChI=1S/C27H24N6O5/c1-37-20-4-2-16(3-5-20)12-33-25(10-21(31-33)17-6-7-38-15-17)29-22-8-19(34)9-24(35)26(22)27(36)32-13-18-11-28-30-23(18)14-32/h2-11,15,29,34-35H,12-14H2,1H3,(H,28,30)
Affinity DataEC50:  40nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551766(US11312722, Compound 56)
Show SMILES Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H18N4O3/c1-22-17(6-7-20-22)21-15-8-14(24)9-16(25)18(15)19(26)23-10-12-4-2-3-5-13(12)11-23/h2-9,21,24-25H,10-11H2,1H3
Affinity DataEC50:  88nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551767(US11312722, Compound 57)
Show SMILES Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1
Show InChI InChI=1S/C18H17N5O3/c1-22-16(4-6-20-22)21-13-7-12(24)8-15(25)17(13)18(26)23-9-11-3-2-5-19-14(11)10-23/h2-8,21,24-25H,9-10H2,1H3
Affinity DataEC50:  286nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551768(US11312722, Compound 58)
Show SMILES Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1
Show InChI InChI=1S/C16H16N6O3/c1-21-14(2-3-18-21)19-11-4-10(23)5-13(24)15(11)16(25)22-7-9-6-17-20-12(9)8-22/h2-6,19,23-24H,7-8H2,1H3,(H,17,20)
Affinity DataEC50:  142nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551769(US11312722, Compound 59)
Show SMILES CC(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C21H22N4O3/c1-13(2)25-19(7-8-22-25)23-17-9-16(26)10-18(27)20(17)21(28)24-11-14-5-3-4-6-15(14)12-24/h3-10,13,23,26-27H,11-12H2,1-2H3
Affinity DataEC50:  125nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551770(US11312722, Compound 60)
Show SMILES CC(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1
Show InChI InChI=1S/C20H21N5O3/c1-12(2)25-18(5-7-22-25)23-15-8-14(26)9-17(27)19(15)20(28)24-10-13-4-3-6-21-16(13)11-24/h3-9,12,23,26-27H,10-11H2,1-2H3
Affinity DataEC50:  250nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551771(US11312722, Compound 61)
Show SMILES CC(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1
Show InChI InChI=1S/C18H20N6O3/c1-10(2)24-16(3-4-20-24)21-13-5-12(25)6-15(26)17(13)18(27)23-8-11-7-19-22-14(11)9-23/h3-7,10,21,25-26H,8-9H2,1-2H3,(H,19,22)
Affinity DataEC50:  97nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551772(US11312722, Compound 62)
Show SMILES CC(C)(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)26-19(8-9-23-26)24-17-10-16(27)11-18(28)20(17)21(29)25-12-14-6-4-5-7-15(14)13-25/h4-11,24,27-28H,12-13H2,1-3H3
Affinity DataEC50:  62nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551773(US11312722, Compound 63)
Show SMILES CC(C)(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1
Show InChI InChI=1S/C21H23N5O3/c1-21(2,3)26-18(6-8-23-26)24-15-9-14(27)10-17(28)19(15)20(29)25-11-13-5-4-7-22-16(13)12-25/h4-10,24,27-28H,11-12H2,1-3H3
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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551774(US11312722, Compound 64)
Show SMILES CC(C)(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cn[nH]c2C1
Show InChI InChI=1S/C19H22N6O3/c1-19(2,3)25-16(4-5-21-25)22-13-6-12(26)7-15(27)17(13)18(28)24-9-11-8-20-23-14(11)10-24/h4-8,22,26-27H,9-10H2,1-3H3,(H,20,23)
Affinity DataEC50:  41nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551775(US11312722, Compound 65)
Show SMILES Oc1cc(O)c(C(=O)N2Cc3ccccc3C2)c(Nc2ccnn2CC2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3/c30-20-12-21(27-23-10-11-26-29(23)14-17-6-2-1-3-7-17)24(22(31)13-20)25(32)28-15-18-8-4-5-9-19(18)16-28/h4-5,8-13,17,27,30-31H,1-3,6-7,14-16H2
Affinity DataEC50:  51nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551776(US11312722, Compound 66)
Show SMILES Oc1cc(O)c(C(=O)N2Cc3cccnc3C2)c(Nc2ccnn2CC2CCCCC2)c1
Show InChI InChI=1S/C24H27N5O3/c30-18-11-19(27-22-8-10-26-29(22)13-16-5-2-1-3-6-16)23(21(31)12-18)24(32)28-14-17-7-4-9-25-20(17)15-28/h4,7-12,16,27,30-31H,1-3,5-6,13-15H2
Affinity DataEC50:  26nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551777(US11312722, Compound 67)
Show SMILES Oc1cc(O)c(C(=O)N2Cc3cn[nH]c3C2)c(Nc2ccnn2CC2CCCCC2)c1
Show InChI InChI=1S/C22H26N6O3/c29-16-8-17(25-20-6-7-24-28(20)11-14-4-2-1-3-5-14)21(19(30)9-16)22(31)27-12-15-10-23-26-18(15)13-27/h6-10,14,25,29-30H,1-5,11-13H2,(H,23,26)
Affinity DataEC50:  18nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551778(US11312722, Compound 68)
Show SMILES Oc1cc(O)c(C(=O)N2Cc3ccccc3C2)c(Nc2ccnn2-c2ccccc2)c1
Show InChI InChI=1S/C24H20N4O3/c29-19-12-20(26-22-10-11-25-28(22)18-8-2-1-3-9-18)23(21(30)13-19)24(31)27-14-16-6-4-5-7-17(16)15-27/h1-13,26,29-30H,14-15H2
Affinity DataEC50:  61nMAssay 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
TargetHsp90 chaperone protein kinase-targeting subunit(Filobasidiella neoformans)
TRUSTEES OF BOSTON UNIVERSITY; The Governing Council of the University of Toronto

US Patent
LigandPNGBDBM551779(US11312722, Compound 69)
Show SMILES Oc1cc(O)c(C(=O)N2Cc3cccnc3C2)c(Nc2ccnn2-c2ccccc2)c1
Show InChI InChI=1S/C23H19N5O3/c29-17-11-18(26-21-8-10-25-28(21)16-6-2-1-3-7-16)22(20(30)12-17)23(31)27-13-15-5-4-9-24-19(15)14-27/h1-12,26,29-30H,13-14H2
Affinity DataEC50:  44nMAssay 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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