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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 3324   
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-2-like protein 1


(Homo sapiens (Human))
BDBM31373
PNG
(CHEMBL28137 | terephthalamide scaffold, 9)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1
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PubMed
780 -34.9n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31374
PNG
(CHEMBL286715 | terephthalamide scaffold, 10)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H36N2O5/c1-13(2)11-19(23(28)29)24-21(26)18-10-9-17(12-20(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h9-10,12-16,19H,11H2,1-8H3,(H,24,26)(H,28,29)/t19-/m0/s1
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PubMed
840 -34.7n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31381
PNG
(CHEMBL282624 | terephthalamide scaffold, 29)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O5/c1-16(2)14-22(26(31)32)27-24(29)21-13-12-19(25(30)28(17(3)4)18(5)6)15-23(21)33-20-10-8-7-9-11-20/h7-13,15-18,22H,14H2,1-6H3,(H,27,29)(H,31,32)/t22-/m0/s1
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PubMed
1.01E+3 -34.2n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31379
PNG
(CHEMBL28872 | terephthalamide scaffold, 27)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m1/s1
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PubMed
1.79E+3 -32.8n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31378
PNG
(CHEMBL284686 | terephthalamide scaffold, 26)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m0/s1
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PubMed
1.85E+3 -32.7n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31380
PNG
(terephthalamide scaffold, 28)
Show SMILES COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C21H32N2O5/c1-12(2)10-17(21(26)27)22-19(24)16-9-8-15(11-18(16)28-7)20(25)23(13(3)4)14(5)6/h8-9,11-14,17H,10H2,1-7H3,(H,22,24)(H,26,27)/t17-/m0/s1
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PubMed
2.31E+3 -32.2n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31390
PNG
(terephthalamide scaffold, 37)
Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r|
Show InChI InChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1
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PubMed
2.44E+3 -32.0n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31387
PNG
(terephthalamide scaffold, 34)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C20H30N2O5/c1-12(2)10-16(20(25)26-7)21-18(23)15-9-8-14(19(24)22(5)6)11-17(15)27-13(3)4/h8-9,11-13,16H,10H2,1-7H3,(H,21,23)/t16-/m0/s1
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PubMed
3.14E+3 -31.4n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31385
PNG
(CHEMBL281240 | terephthalamide scaffold, 17)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1
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PubMed
3.31E+3 -31.3n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31376
PNG
(CHEMBL433422 | terephthalamide scaffold, 24)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C23H36N2O5/c1-13(2)20(23(28)29-9)24-21(26)18-11-10-17(12-19(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h10-16,20H,1-9H3,(H,24,26)/t20-/m0/s1
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PubMed
5.85E+3 -29.9n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31383
PNG
(terephthalamide scaffold, 31)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C30H36N2O5/c1-18(2)15-26(30(35)36)31-28(33)25-14-12-23(29(34)32(19(3)4)20(5)6)17-27(25)37-24-13-11-21-9-7-8-10-22(21)16-24/h7-14,16-20,26H,15H2,1-6H3,(H,31,33)(H,35,36)/t26-/m0/s1
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PubMed
7.63E+3 -29.2n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31386
PNG
(terephthalamide scaffold, 33)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1
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PubMed
8.34E+3 -29.0n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31393
PNG
(terephthalamide scaffold, 40)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
Show InChI InChI=1S/C26H42N2O5/c1-16(2)12-22(26(31)32-9)27-24(29)21-11-10-20(13-23(21)33-19(7)8)25(30)28(14-17(3)4)15-18(5)6/h10-11,13,16-19,22H,12,14-15H2,1-9H3,(H,27,29)/t22-/m0/s1
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PubMed
8.36E+3 -29.0n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31392
PNG
(terephthalamide scaffold, 39)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
Show InChI InChI=1S/C23H36N2O5/c1-14(2)12-25(13-15(3)4)22(27)18-9-10-19(20(11-18)30-16(5)6)21(26)24-17(7)23(28)29-8/h9-11,14-17H,12-13H2,1-8H3,(H,24,26)/t17-/m0/s1
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PubMed
8.76E+3 -28.9n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31388
PNG
(terephthalamide scaffold, 35)
Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r|
Show InChI InChI=1S/C22H26N2O5/c1-14(2)29-19-13-16(21(26)24(3)4)10-11-17(19)20(25)23-18(22(27)28)12-15-8-6-5-7-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,23,25)(H,27,28)/t18-/m0/s1
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PubMed
8.92E+3 -28.8n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31377
PNG
(terephthalamide scaffold, 25)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C27H36N2O5/c1-17(2)29(18(3)4)26(31)21-13-14-22(24(16-21)34-19(5)6)25(30)28-23(27(32)33-7)15-20-11-9-8-10-12-20/h8-14,16-19,23H,15H2,1-7H3,(H,28,30)/t23-/m0/s1
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PubMed
1.09E+4 -28.3n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31375
PNG
(CHEMBL28504 | terephthalamide scaffold, 23)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C21H32N2O5/c1-12(2)23(13(3)4)20(25)16-9-10-17(18(11-16)28-14(5)6)19(24)22-15(7)21(26)27-8/h9-15H,1-8H3,(H,22,24)/t15-/m0/s1
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PubMed
1.10E+4 -28.3n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31391
PNG
(terephthalamide scaffold, 38)
Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r|
Show InChI InChI=1S/C22H34N2O5/c1-8-24(9-2)21(26)16-10-11-17(19(13-16)29-15(5)6)20(25)23-18(12-14(3)4)22(27)28-7/h10-11,13-15,18H,8-9,12H2,1-7H3,(H,23,25)/t18-/m0/s1
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PubMed
1.14E+4 -28.2n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31384
PNG
(terephthalamide scaffold, 32)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C(C)C)C(C)C |r|
Show InChI InChI=1S/C27H35N3O7/c1-16(2)14-23(27(33)36-7)28-25(31)22-13-8-19(26(32)29(17(3)4)18(5)6)15-24(22)37-21-11-9-20(10-12-21)30(34)35/h8-13,15-18,23H,14H2,1-7H3,(H,28,31)/t23-/m0/s1
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PubMed
1.32E+4 -27.9n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31404
PNG
(terephthalamide scaffold, 50)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccc3ccccc3c2)c1)C(O)=O |r|
Show InChI InChI=1S/C30H34N2O7/c1-17(2)13-24(29(35)36)31-27(33)21-10-12-23(28(34)32-25(30(37)38)14-18(3)4)26(16-21)39-22-11-9-19-7-5-6-8-20(19)15-22/h5-12,15-18,24-25H,13-14H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)/t24-,25-/m0/s1
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8.21E+4n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31394
PNG
(terephthalamide scaffold, 41)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C)C(C)C |r|
Show InChI InChI=1S/C25H40N2O5/c1-15(2)13-27(14-16(3)4)24(29)19-10-11-20(21(12-19)32-18(7)8)23(28)26-22(17(5)6)25(30)31-9/h10-12,15-18,22H,13-14H2,1-9H3,(H,26,28)/t22-/m0/s1
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1.38E+5 -22.0n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31395
PNG
(terephthalamide scaffold, 42)
Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](C)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N2O5/c1-17(2)33-23-16-19(14-15-22(23)24(29)27-18(3)26(31)32)25(30)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18H,1-3H3,(H,27,29)(H,31,32)/t18-/m0/s1
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2.60E+5 -20.5n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31401
PNG
(terephthalamide scaffold, 47)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C(C)C)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C26H40N2O7/c1-14(2)11-20(25(31)32)27-23(29)19-10-9-18(12-21(19)35-17(7)8)24(30)28(13-15(3)4)22(16(5)6)26(33)34/h9-10,12,14-17,20,22H,11,13H2,1-8H3,(H,27,29)(H,31,32)(H,33,34)/t20-,22-/m0/s1
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4.50E+5n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31396
PNG
(terephthalamide scaffold, 43)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C29H32N2O5/c1-19(2)17-25(29(34)35)30-27(32)24-16-15-21(18-26(24)36-20(3)4)28(33)31(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,18-20,25H,17H2,1-4H3,(H,30,32)(H,34,35)/t25-/m0/s1
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7.80E+5n/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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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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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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31400
PNG
(terephthalamide scaffold, 46)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1O)C(=O)NCC(O)=O)C(O)=O |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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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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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31398
PNG
(terephthalamide scaffold, 45)
Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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 |r|
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)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair