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PubMed code 19572612

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))		BDBM50295298
PNG
(CHEMBL552717 | icterogenin regioisomer)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)[C@]([#6])([#6]-[#8])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
Show InChI InChI=1S/C35H52O6/c1-21(2)17-28(38)41-27-19-30(3,4)18-23-22-9-10-25-31(5)13-12-26(37)32(6,20-36)24(31)11-14-34(25,8)33(22,7)15-16-35(23,27)29(39)40/h9,17,23-25,27,36H,10-16,18-20H2,1-8H3,(H,39,40)/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1
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 5.30E+3n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295299
PNG
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6C[C@@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]23C)[C@H](O)[C@H](O)[C@H]1O |r,t:26|
Show InChI InChI=1S/C40H62O11/c1-21-30(43)31(44)32(45)33(49-21)51-29-18-28(50-23(3)42)37(6,20-48-22(2)41)26-12-13-39(8)27(40(26,29)9)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32+,33-,35+,36+,37-,38+,39+,40-/m0/s1
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 7.20E+3n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295300
PNG
(CHEMBL554122 | icterogenin)
Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
Show InChI InChI=1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9-/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1
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 7.60E+3n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295301
PNG
(23-O-[alpha-L-(2',4'-Diacetylrhamnopyranosyl]imber...)
Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r,t:24|
Show InChI InChI=1S/C40H62O11/c1-21-31(50-22(2)41)30(45)32(51-23(3)42)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30+,31-,32+,33+,35+,36+,37-,38+,39+,40-/m0/s1
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 1.41E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295302
PNG
(23-acetoxy-3beta-acetylimberbic acid | CHEMBL53990...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(C)=O |r,t:22|
Show InChI InChI=1S/C34H52O7/c1-20(35)40-19-31(5)24-11-12-33(7)25(34(24,8)26(37)17-27(31)41-21(2)36)10-9-22-23-18-30(4,28(38)39)14-13-29(23,3)15-16-32(22,33)6/h9,23-27,37H,10-19H2,1-8H3,(H,38,39)/t23-,24+,25+,26+,27+,29-,30-,31+,32-,33-,34+/m1/s1
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 1.78E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295304
PNG
(23-O-[alpha-L-(3',4'-Diacetylrhamnopyranosyl]-3bet...)
Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r,t:23|
Show InChI InChI=1S/C42H64O12/c1-22-33(53-24(3)44)34(54-25(4)45)32(47)35(51-22)50-21-39(7)28-13-14-41(9)29(42(28,10)30(46)19-31(39)52-23(2)43)12-11-26-27-20-38(6,36(48)49)16-15-37(27,5)17-18-40(26,41)8/h11,22,27-35,46-47H,12-21H2,1-10H3,(H,48,49)/t22-,27+,28-,29-,30-,31-,32+,33-,34-,35+,37+,38+,39-,40+,41+,42-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295308
PNG
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxy-3beta-ac...)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@H](C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
Show InChI InChI=1S/C41H64O11/c1-22-31(44)32(45)33(46)34(50-22)52-30-19-29(51-24(3)43)38(6,21-49-23(2)42)27-13-14-40(8)28(41(27,30)9)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33+,34-,36+,37+,38-,39+,40+,41-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295309
PNG
(23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@H](C[C@H](O)[C@]43C)OC(C)=O)[C@H]2C1 |r,c:14|
Show InChI InChI=1S/C41H64O11/c1-22-33(52-24(3)43)31(45)32(46)34(50-22)49-21-38(6)27-13-14-40(8)28(41(27,9)29(44)19-30(38)51-23(2)42)12-11-25-26-20-37(5,35(47)48-10)16-15-36(26,4)17-18-39(25,40)7/h11,22,26-34,44-46H,12-21H2,1-10H3/t22-,26+,27-,28-,29-,30-,31-,32+,33-,34+,36+,37+,38-,39+,40+,41-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295303
PNG
(23-Acetoxyimberbic acid 29-methyl ester | CHEMBL55...)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@H]2C1 |r,c:14|
Show InChI InChI=1S/C33H52O6/c1-20(34)39-19-30(4)23-11-12-32(6)24(33(23,7)26(36)17-25(30)35)10-9-21-22-18-29(3,27(37)38-8)14-13-28(22,2)15-16-31(21,32)5/h9,22-26,35-36H,10-19H2,1-8H3/t22-,23+,24+,25+,26+,28-,29-,30+,31-,32-,33+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295310
PNG
(CHEMBL540988 | lantadene A)
Show SMILES C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O |r,t:14|
Show InChI InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24+,25-,27-,32+,33-,34-,35+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295306
PNG
(1-O-[alpha-L-(Rhamnopyranosyl]-23-acetoxyimberbic ...)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(COC(C)=O)[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]43C)[C@H]2C1 |r,c:14|
Show InChI InChI=1S/C39H62O10/c1-21-29(42)30(43)31(44)32(48-21)49-28-18-27(41)36(5,20-47-22(2)40)25-12-13-38(7)26(39(25,28)8)11-10-23-24-19-35(4,33(45)46-9)15-14-34(24,3)16-17-37(23,38)6/h10,21,24-32,41-44H,11-20H2,1-9H3/t21-,24+,25-,26-,27-,28-,29-,30+,31+,32-,34+,35+,36-,37+,38+,39-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295311
PNG
(CHEMBL555367 | lantadene B)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6]C([#6])([#6])[#6]-[#6@@H]2-[#6]3=[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]4([#6])[C@]3([#6])[#6]-[#6][C@@]12[#6](-[#8])=O |r,t:14|
Show InChI InChI=1S/C35H52O5/c1-21(2)18-28(37)40-27-20-30(3,4)19-23-22-10-11-25-32(7)14-13-26(36)31(5,6)24(32)12-15-34(25,9)33(22,8)16-17-35(23,27)29(38)39/h10,18,23-25,27H,11-17,19-20H2,1-9H3,(H,38,39)/t23-,24+,25-,27-,32+,33-,34-,35+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295307
PNG
(23-O-[alpha-L-(4'-acetylrhamnopyranosyl]imberbic a...)
Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O |r,t:24|
Show InChI InChI=1S/C36H58O9/c1-19-26(39)27(40)28(41)29(45-19)44-18-33(4)22-10-11-35(6)23(36(22,7)25(38)16-24(33)37)9-8-20-21-17-32(3,30(42)43)13-12-31(21,2)14-15-34(20,35)5/h8,19,21-29,37-41H,9-18H2,1-7H3,(H,42,43)/t19-,21+,22-,23-,24-,25-,26-,27+,28+,29+,31+,32+,33-,34+,35+,36-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50295305
PNG
(23-O-[alpha-L-(4'-Acetylrhamnopyranosyl]-3beta-ace...)
Show SMILES C[C@@H]1O[C@@H](OC[C@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r,t:23|
Show InChI InChI=1S/C40H62O11/c1-21-32(51-23(3)42)30(44)31(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)28(43)18-29(37)50-22(2)41)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25+,26-,27-,28-,29-,30-,31+,32-,33+,35+,36+,37-,38+,39+,40-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay

J Nat Prod 72: 1314-20 (2009)

Checked by Author
Article DOI: 10.1021/np900192r
BindingDB Entry DOI: 10.7270/Q2KH0NCV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%