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Compile Data Set for Download or QSAR

Found 10 hits of non-affinity data for polymerid = 3744   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-xL/BAK


(Homo sapiens)
BDBM31382
PNG
(terephthalamide scaffold, 30)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C27H36N2O5/c1-17(2)15-23(27(32)33-7)28-25(30)22-14-13-20(26(31)29(18(3)4)19(5)6)16-24(22)34-21-11-9-8-10-12-21/h8-14,16-19,23H,15H2,1-7H3,(H,28,30)/t23-/m0/s1
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n/an/an/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31389
PNG
(CHEMBL29180 | terephthalamide scaffold, 36)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N2O4/c1-15(2)13(18)10-6-4-9(5-7-10)12(17)14-8-11(16)19-3/h4-7H,8H2,1-3H3,(H,14,17)
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PubMed
n/an/an/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31397
PNG
(terephthalamide scaffold, 44)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O5/c1-20(2)18-26(30(35)36-5)31-28(33)25-17-16-22(19-27(25)37-21(3)4)29(34)32(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-17,19-21,26H,18H2,1-5H3,(H,31,33)/t26-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31398
PNG
(terephthalamide scaffold, 45)
Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H30N2O5/c1-22(2)39-29-21-24(31(36)34(25-14-8-4-9-15-25)26-16-10-5-11-17-26)18-19-27(29)30(35)33-28(32(37)38)20-23-12-6-3-7-13-23/h3-19,21-22,28H,20H2,1-2H3,(H,33,35)(H,37,38)/t28-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31415
PNG
(terphenyl scaffold, 23)
Show SMILES COC(=O)CCc1ccc(c(CC(C)C)c1)-c1ccc(-c2ccc(OCC(=O)OC)c(CC(C)C)c2)c(c1)C(C)C
Show InChI InChI=1S/C36H46O5/c1-23(2)17-29-19-26(10-16-35(37)39-7)9-13-31(29)28-11-14-32(33(21-28)25(5)6)27-12-15-34(41-22-36(38)40-8)30(20-27)18-24(3)4/h9,11-15,19-21,23-25H,10,16-18,22H2,1-8H3
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n/an/an/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31400
PNG
(terephthalamide scaffold, 46)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H20N2O7/c1-8(2)5-11(16(24)25)18-15(23)10-4-3-9(6-12(10)19)14(22)17-7-13(20)21/h3-4,6,8,11,19H,5,7H2,1-2H3,(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t11-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31402
PNG
(terephthalamide scaffold, 48)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C26H32N2O7/c1-15(2)12-20(25(31)32)27-23(29)17-10-11-19(22(14-17)35-18-8-6-5-7-9-18)24(30)28-21(26(33)34)13-16(3)4/h5-11,14-16,20-21H,12-13H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t20-,21-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31403
PNG
(terephthalamide scaffold, 49)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H34N2O7/c1-16(2)13-21(26(32)33)28-24(30)18-11-12-20(23(15-18)36-19-9-7-6-8-10-19)25(31)29-22(14-17(3)4)27(34)35-5/h6-12,15-17,21-22H,13-14H2,1-5H3,(H,28,30)(H,29,31)(H,32,33)/t21-,22-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31405
PNG
(terephthalamide scaffold, 51)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C31H36N2O7/c1-18(2)14-25(30(36)37)32-28(34)22-11-13-24(29(35)33-26(15-19(3)4)31(38)39-5)27(17-22)40-23-12-10-20-8-6-7-9-21(20)16-23/h6-13,16-19,25-26H,14-15H2,1-5H3,(H,32,34)(H,33,35)(H,36,37)/t25-,26-/m0/s1
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n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM31399
PNG
(terephthalamide scaffold, 22)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H36N2O7/c1-13(2)10-19(24(31)32)25-21(27)18-9-8-17(11-20(18)33-15(5)6)22(28)26(12-14(3)4)16(7)23(29)30/h8-9,11,13-16,19H,10,12H2,1-7H3,(H,25,27)(H,29,30)(H,31,32)/t16-,19-/m0/s1
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PubMed
n/an/an/an/an/an/an/an/an/a



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)

More data for this
Ligand-Target Pair