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Compile Data Set for Download or QSAR

Found 552 hits with Last Name = 'yin' and Initial = 'h'   
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))
BDBM31406
PNG
(terphenyl scaffold, 14)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(33-15-18-40(47-26-42(45)46)36(25-33)21-28(3)4)35(24-32)23-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22,24-25,27-28H,13,19-21,23,26H2,1-4H3,(H,43,44)(H,45,46)
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114 -39.6n/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)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091160
PNG
(CHEMBL106127 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl3N2S/c1-29(2,16-17-8-10-19(26)20(27)14-17)13-5-12-28-21-6-3-4-7-23(21)30-24-11-9-18(25)15-22(24)28/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3/q+1
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120n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091165
PNG
((4-Benzyloxy-benzyl)-[3-(2-chloro-phenothiazin-10-...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C31H32ClN2OS/c1-34(2,22-24-13-16-27(17-14-24)35-23-25-9-4-3-5-10-25)20-8-19-33-28-11-6-7-12-30(28)36-31-18-15-26(32)21-29(31)33/h3-7,9-18,21H,8,19-20,22-23H2,1-2H3/q+1
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470n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091158
PNG
(CHEMBL322826 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1C
Show InChI InChI=1S/C26H30ClN2S/c1-19-10-11-21(16-20(19)2)18-29(3,4)15-7-14-28-23-8-5-6-9-25(23)30-26-13-12-22(27)17-24(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1
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470n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091148
PNG
(CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1
Show InChI InChI=1S/C28H28ClN2O3S/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3/q+1
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560n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091162
PNG
((4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10...)
Show SMILES CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1
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680n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091163
PNG
(Benzhydryl-[3-(2-chloro-phenothiazin-10-yl)-propyl...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30ClN2S/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32/h3-10,12-19,22,30H,11,20-21H2,1-2H3/q+1
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710n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091154
PNG
(CHEMBL106901 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc(OC)c1
Show InChI InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-14-21(30-3)17-22(15-19)31-4)13-7-12-28-23-8-5-6-9-25(23)32-26-11-10-20(27)16-24(26)28/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3/q+1
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770n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
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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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))
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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781n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
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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839n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
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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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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50296704
PNG
(3-{4-[2-Amino-6-(4-benzyl-piperazin-1-yl)-pyrimidi...)
Show SMILES CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3ccccc3)CC2)cc1)(Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C31H33N5O4/c1-31(29(37)38,40-26-10-6-3-7-11-26)21-23-12-14-25(15-13-23)39-28-20-27(33-30(32)34-28)36-18-16-35(17-19-36)22-24-8-4-2-5-9-24/h2-15,20H,16-19,21-22H2,1H3,(H,37,38)(H2,32,33,34)
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1.00E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse liver microsome 11betaHSD1 reductase activity expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem 17: 5722-32 (2009)


Article DOI: 10.1016/j.bmc.2009.05.082
BindingDB Entry DOI: 10.7270/Q2571CZ2
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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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))
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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1.01E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50019879
PNG
(CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091157
PNG
((2-Adamantan-1-yl-2-oxo-ethyl)-[3-(2-chloro-phenot...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:27:28:32:25.26.31,THB:27:26:32:33.28.29,29:28:25:32.30.31,29:30:25:33.28.27|
Show InChI InChI=1S/C29H36ClN2OS/c1-32(2,19-28(33)29-16-20-12-21(17-29)14-22(13-20)18-29)11-5-10-31-24-6-3-4-7-26(24)34-27-9-8-23(30)15-25(27)31/h3-4,6-9,15,20-22H,5,10-14,16-19H2,1-2H3/q+1
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1.23E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091153
PNG
(Benzyl-[3-(2-chloro-phenothiazin-10-yl)-propyl]-di...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccccc1
Show InChI InChI=1S/C24H26ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091159
PNG
(CHEMBL326458 | [2-(4-Chloro-3-methyl-phenyl)-2-oxo...)
Show SMILES Cc1cc(ccc1Cl)C(=O)C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C26H27Cl2N2OS/c1-18-15-19(9-11-21(18)28)24(31)17-30(2,3)14-6-13-29-22-7-4-5-8-25(22)32-26-12-10-20(27)16-23(26)29/h4-5,7-12,15-16H,6,13-14,17H2,1-3H3/q+1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091156
PNG
((4-Bromo-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrClN2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091155
PNG
(CHEMBL323271 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26ClN2S/c1-30(2,23-14-12-20-8-3-4-9-21(20)18-23)17-7-16-29-24-10-5-6-11-26(24)31-27-15-13-22(28)19-25(27)29/h3-6,8-15,18-19H,7,16-17H2,1-2H3/q+1
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1.55E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091164
PNG
(CHEMBL106236 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C24H21ClF5N2S/c1-32(2,13-15-20(26)22(28)24(30)23(29)21(15)27)11-5-10-31-16-6-3-4-7-18(16)33-19-9-8-14(25)12-17(19)31/h3-4,6-9,12H,5,10-11,13H2,1-2H3/q+1
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1.67E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091149
PNG
((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
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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1.79E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
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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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
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091150
PNG
(CHEMBL323540 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C25H28ClN2S/c1-19-9-11-20(12-10-19)18-28(2,3)16-6-15-27-22-7-4-5-8-24(22)29-25-14-13-21(26)17-23(25)27/h4-5,7-14,17H,6,15-16,18H2,1-3H3/q+1
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1.80E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31408
PNG
(terphenyl scaffold, 16)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C38H42O5/c1-25(2)18-31-21-28(11-17-37(39)40)10-14-34(31)29-12-15-35(32(22-29)20-27-8-6-5-7-9-27)30-13-16-36(43-24-38(41)42)33(23-30)19-26(3)4/h5-10,12-16,21-23,25-26H,11,17-20,24H2,1-4H3,(H,39,40)(H,41,42)
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1.82E+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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
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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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))
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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1.85E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31407
PNG
(terphenyl scaffold, 15)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C34H42O5/c1-21(2)15-27-17-24(8-14-33(35)36)7-11-29(27)26-9-12-30(31(19-26)23(5)6)25-10-13-32(39-20-34(37)38)28(18-25)16-22(3)4/h7,9-13,17-19,21-23H,8,14-16,20H2,1-6H3,(H,35,36)(H,37,38)
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2.09E+3 -32.4n/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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091152
PNG
(CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1
Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1
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2.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
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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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))
BDBM31412
PNG
(terphenyl scaffold, 20)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C33H32O5/c1-21-15-25(10-14-31(34)35)9-12-29(21)27-16-22(2)33(23(3)17-27)26-11-13-30(38-20-32(36)37)28(19-26)18-24-7-5-4-6-8-24/h4-9,11-13,15-17,19H,10,14,18,20H2,1-3H3,(H,34,35)(H,36,37)
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2.34E+3 -32.1n/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)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091151
PNG
((3-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3/q+1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
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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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))
BDBM31409
PNG
(terphenyl scaffold, 17)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C42H44O5/c1-27(2)19-35-21-29(11-18-41(43)44)10-15-38(35)33-13-16-39(34-14-17-40(47-26-42(45)46)37(25-34)20-28(3)4)36(24-33)23-30-9-12-31-7-5-6-8-32(31)22-30/h5-10,12-17,21-22,24-25,27-28H,11,18-20,23,26H2,1-4H3,(H,43,44)(H,45,46)
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2.50E+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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31411
PNG
(terphenyl scaffold, 19)
Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(35(23-32)21-28(3)4)33-15-18-40(47-26-42(45)46)36(25-33)24-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22-23,25,27-28H,13,19-21,24,26H2,1-4H3,(H,43,44)(H,45,46)
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2.70E+3 -31.8n/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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31410
PNG
(terphenyl scaffold, 18)
Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C41H40O5/c1-28(2)21-34-23-31(14-20-40(42)43)13-17-37(34)32-15-18-38(35(25-32)22-29-9-5-3-6-10-29)33-16-19-39(46-27-41(44)45)36(26-33)24-30-11-7-4-8-12-30/h3-13,15-19,23,25-26,28H,14,20-22,24,27H2,1-2H3,(H,42,43)(H,44,45)
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2.73E+3 -31.8n/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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50369578
PNG
(CHEMBL239370)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H25ClN3O2S/c1-28(2,17-18-8-11-20(12-9-18)27(29)30)15-5-14-26-21-6-3-4-7-23(21)31-24-13-10-19(25)16-22(24)26/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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2.98E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)


BindingDB Entry DOI: 10.7270/Q2R78FXC
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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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))
BDBM31420
PNG
(terphenyl scaffold, 28)
Show SMILES CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C
Show InChI InChI=1S/C32H32O3/c1-4-25-19-27(30-16-14-28(35-21-32(33)34)20-31(30)22(2)3)13-15-29(25)26-12-8-11-24(18-26)17-23-9-6-5-7-10-23/h5-16,18-20,22H,4,17,21H2,1-3H3,(H,33,34)
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3.27E+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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
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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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))
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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3.31E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31419
PNG
(terphenyl scaffold, 27)
Show SMILES CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C31H38O3/c1-20(2)14-26-17-25(10-12-29(26)24-9-7-8-23(16-24)22(5)6)30-13-11-28(34-19-31(32)33)18-27(30)15-21(3)4/h7-13,16-18,20-22H,14-15,19H2,1-6H3,(H,32,33)
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4.82E+3 -30.3n/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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
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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5.85E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
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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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))
BDBM31421
PNG
(CHEMBL43232 | terphenyl scaffold, 29)
Show SMILES CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C
Show InChI InChI=1S/C36H34O3/c1-4-26-21-30(34-18-16-31(39-23-36(37)38)22-35(34)24(2)3)15-17-33(26)29-12-7-9-25(20-29)19-28-13-8-11-27-10-5-6-14-32(27)28/h5-18,20-22,24H,4,19,23H2,1-3H3,(H,37,38)
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6.88E+3 -29.5n/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: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
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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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))
BDBM50141117
PNG
((S)-2-[4-Diisopropylcarbamoyl-2-(naphthalen-1-ylox...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1cccc2ccccc12)C(=O)N(C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H36N2O5/c1-18(2)16-25(30(35)36)31-28(33)24-15-14-22(29(34)32(19(3)4)20(5)6)17-27(24)37-26-13-9-11-21-10-7-8-12-23(21)26/h7-15,17-20,25H,16H2,1-6H3,(H,31,33)(H,35,36)/t25-/m0/s1
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7.63E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
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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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
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