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USPatent US9809574

Compile Data Set for Download or QSAR

Found 248 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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354621
PNG
(3-(6-{4-[(4-Hydroxyphenyl)(methyl)carbamoyl]-1,5-d...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Oc2cccc(c2)C(O)=O)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H50N6O7/c1-30-40(44(55)50(4)36-12-14-38(54)15-13-36)26-43(49(30)3)41-24-32-16-17-52(47(59)60-39-11-7-10-33(23-39)46(57)58)27-35(32)25-42(41)45(56)53-28-34-9-6-5-8-31(34)22-37(53)29-51-20-18-48(2)19-21-51/h5-15,23-26,37,54H,16-22,27-29H2,1-4H3,(H,57,58)/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354602
PNG
(4-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C45H49N5O6/c1-29-23-31-9-7-8-10-33(31)28-50(29)44(53)41-25-34-27-49(45(54)56-38-17-15-37(16-18-38)55-22-21-46(3)4)20-19-32(34)24-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-11-13-36(51)14-12-35/h7-18,24-26,29,51H,19-23,27-28H2,1-6H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354597
PNG
(2-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1OCCN(C)C
Show InChI InChI=1S/C45H49N5O6/c1-29-23-31-11-7-8-12-33(31)28-50(29)44(53)39-25-34-27-49(45(54)56-42-14-10-9-13-41(42)55-22-21-46(3)4)20-19-32(34)24-38(39)40-26-37(30(2)47(40)5)43(52)48(6)35-15-17-36(51)18-16-35/h7-18,24-26,29,51H,19-23,27-28H2,1-6H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354648
PNG
((1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C |wU:1.0,44.49,wD:47.56,(-1.84,1.24,;-3.17,2.01,;-3.17,3.55,;-4.5,4.32,;-4.5,5.86,;-5.84,6.63,;-7.17,5.86,;-7.17,4.32,;-5.84,3.55,;-5.84,2.01,;-4.5,1.24,;-4.5,-.3,;-5.84,-1.07,;-3.17,-1.07,;-1.84,-.3,;-.5,-1.07,;.83,-.3,;2.17,-1.07,;2.17,-2.61,;.83,-3.38,;-.5,-2.61,;-1.84,-3.38,;-3.17,-2.61,;-4.5,-3.38,;-5.91,-2.75,;-6.94,-3.89,;-8.47,-3.73,;-9.1,-2.33,;-9.38,-4.98,;-8.75,-6.39,;-10.91,-4.82,;-11.81,-6.06,;-13.34,-5.9,;-13.97,-4.5,;-15.5,-4.33,;-13.07,-3.25,;-11.53,-3.41,;-6.17,-5.23,;-6.8,-6.63,;-4.66,-4.91,;-3.52,-5.94,;3.5,-.3,;3.5,1.24,;4.83,-1.07,;6.17,-.3,;6.17,1.24,;7.5,2.01,;8.83,1.24,;8.83,-.3,;7.5,-1.07,;10.17,2.01,;11.5,1.24,;11.5,-.3,;12.84,2.01,;14.17,1.24,;15.5,2.01,;15.5,.47,;14.17,-.3,)|
Show InChI InChI=1S/C46H55N5O7/c1-28-22-30-10-8-9-11-32(30)27-51(28)43(54)40-24-33-26-50(45(56)57-37-18-12-34(13-19-37)47-44(55)58-46(3,4)5)21-20-31(33)23-39(40)41-25-38(29(2)48(41)6)42(53)49(7)35-14-16-36(52)17-15-35/h8-11,14-17,23-25,28,34,37,52H,12-13,18-22,26-27H2,1-7H3,(H,47,55)/t28-,34-,37-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354619
PNG
(3-(6-{4-[(4-Hydroxyphenyl)(methyl)carbamoyl]-1,5-d...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(c1)C(O)=O
Show InChI InChI=1S/C42H40N4O7/c1-25-18-27-8-5-6-9-30(27)24-46(25)40(49)37-21-31-23-45(42(52)53-34-11-7-10-29(19-34)41(50)51)17-16-28(31)20-36(37)38-22-35(26(2)43(38)3)39(48)44(4)32-12-14-33(47)15-13-32/h5-15,19-22,25,47H,16-18,23-24H2,1-4H3,(H,50,51)/t25-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354624
PNG
(3-[2-(Dimethylcarbamoyl)ethyl]phenyl 6-{4-[(4-hydr...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(CCC(=O)N(C)C)c1
Show InChI InChI=1S/C46H49N5O6/c1-29-22-32-11-7-8-12-34(32)28-51(29)45(55)41-25-35-27-50(46(56)57-38-13-9-10-31(23-38)14-19-43(53)47(3)4)21-20-33(35)24-40(41)42-26-39(30(2)48(42)5)44(54)49(6)36-15-17-37(52)18-16-36/h7-13,15-18,23-26,29,52H,14,19-22,27-28H2,1-6H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM352978
PNG
(3-{2-[2-(4-Cyanophenyl)acetyl]-7-[(3R)-3-methyl-1,...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C45H43N5O4/c1-29-21-32-7-3-4-8-34(32)28-50(29)45(54)39-24-35-27-48(43(52)22-30-10-12-31(26-46)13-11-30)20-18-33(35)23-38(39)42-25-40(41-9-5-6-19-49(41)42)44(53)47(2)36-14-16-37(51)17-15-36/h3-4,7-8,10-17,23-25,29,51H,5-6,9,18-22,27-28H2,1-2H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354623
PNG
(2-[2-(Dimethylcarbamoyl)ethyl]phenyl 6-{4-[(4-hydr...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1CCC(=O)N(C)C
Show InChI InChI=1S/C46H49N5O6/c1-29-23-32-12-7-8-13-34(32)28-51(29)45(55)40-25-35-27-50(46(56)57-42-14-10-9-11-31(42)15-20-43(53)47(3)4)22-21-33(35)24-39(40)41-26-38(30(2)48(41)5)44(54)49(6)36-16-18-37(52)19-17-36/h7-14,16-19,24-26,29,52H,15,20-23,27-28H2,1-6H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354593
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H49N5O6/c1-31-40(44(53)48(3)36-13-15-38(52)16-14-36)28-43(47(31)2)41-26-33-17-20-50(46(55)57-39-11-5-4-6-12-39)29-35(33)27-42(41)45(54)51-30-34-10-8-7-9-32(34)25-37(51)18-19-49-21-23-56-24-22-49/h4-16,26-28,37,52H,17-25,29-30H2,1-3H3/t37-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354612
PNG
(4-Methylphenyl 6-{1,5-dimethyl-4-[methyl(phenyl)ca...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(C)cc2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C46H49N5O5/c1-31-14-16-39(17-15-31)56-46(54)50-19-18-34-25-41(43-27-40(32(2)47(43)3)44(52)48(4)37-12-6-5-7-13-37)42(26-36(34)28-50)45(53)51-29-35-11-9-8-10-33(35)24-38(51)30-49-20-22-55-23-21-49/h5-17,25-27,38H,18-24,28-30H2,1-4H3/t38-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353045
PNG
(4-Fluorophenyl 6-{1-[(4-hydroxyphenyl)(methyl)carb...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(F)cc2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H48FN5O6/c1-49(36-11-13-38(54)14-12-36)45(55)42-27-44(52-18-5-4-8-43(42)52)40-25-32-17-19-51(47(57)59-39-15-9-35(48)10-16-39)28-34(32)26-41(40)46(56)53-29-33-7-3-2-6-31(33)24-37(53)30-50-20-22-58-23-21-50/h2-3,6-7,9-16,25-27,37,54H,4-5,8,17-24,28-30H2,1H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354588
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(propyl)carbamoyl]-1...)
Show SMILES CCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O6/c1-4-19-51(37-14-16-39(53)17-15-37)45(54)41-28-44(48(3)32(41)2)42-26-34-18-20-50(47(56)58-40-12-6-5-7-13-40)29-36(34)27-43(42)46(55)52-30-35-11-9-8-10-33(35)25-38(52)31-49-21-23-57-24-22-49/h5-17,26-28,38,53H,4,18-25,29-31H2,1-3H3/t38-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353042
PNG
(N,1,2-trimethyl-5-{7-[(3S)-3-(morpholin-4-ylmethyl...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C46H49N5O4/c1-32-40(45(53)48(3)38-16-8-5-9-17-38)28-43(47(32)2)41-26-35-18-19-50(44(52)24-33-12-6-4-7-13-33)29-37(35)27-42(41)46(54)51-30-36-15-11-10-14-34(36)25-39(51)31-49-20-22-55-23-21-49/h4-17,26-28,39H,18-25,29-31H2,1-3H3/t39-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354629
PNG
(N-(4-Hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S)-3-(mor...)
Show SMILES CCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C48H53N5O5/c1-4-19-52(39-14-16-41(54)17-15-39)47(56)42-29-45(49(3)33(42)2)43-27-36-18-20-51(46(55)25-34-10-6-5-7-11-34)30-38(36)28-44(43)48(57)53-31-37-13-9-8-12-35(37)26-40(53)32-50-21-23-58-24-22-50/h5-17,27-29,40,54H,4,18-26,30-32H2,1-3H3/t40-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353047
PNG
(4-Chlorophenyl 6-{1-[(4-hydroxyphenyl)(methyl)carb...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(Cl)cc2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H48ClN5O6/c1-49(36-11-13-38(54)14-12-36)45(55)42-27-44(52-18-5-4-8-43(42)52)40-25-32-17-19-51(47(57)59-39-15-9-35(48)10-16-39)28-34(32)26-41(40)46(56)53-29-33-7-3-2-6-31(33)24-37(53)30-50-20-22-58-23-21-50/h2-3,6-7,9-16,25-27,37,54H,4-5,8,17-24,28-30H2,1H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353026
PNG
(N-(4-Hydroxyphenyl)-5-{2-[2-(4-methoxyphenyl)acety...)
Show SMILES COc1ccc(CC(=O)N2Cc3cc(C(=O)N4Cc5ccccc5C[C@H]4C)c(cc3C2)-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)cc1
Show InChI InChI=1S/C42H42N4O5/c1-26-18-29-8-6-7-9-30(29)25-46(26)42(50)38-21-32-24-45(40(48)19-28-10-16-35(51-5)17-11-28)23-31(32)20-37(38)39-22-36(27(2)43(39)3)41(49)44(4)33-12-14-34(47)15-13-33/h6-17,20-22,26,47H,18-19,23-25H2,1-5H3/t26-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354649
PNG
((1r,4r)-4-Aminocyclohexyl 6-{4-[(4-hydroxyphenyl)(...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@H](N)CC1 |wU:1.0,44.49,wD:47.53,(-.71,1.24,;-2.04,2.01,;-2.04,3.55,;-3.38,4.32,;-3.38,5.86,;-4.71,6.63,;-6.04,5.86,;-6.04,4.32,;-4.71,3.55,;-4.71,2.01,;-3.38,1.24,;-3.38,-.3,;-4.71,-1.07,;-2.04,-1.07,;-.71,-.3,;.63,-1.07,;1.96,-.3,;3.29,-1.07,;3.29,-2.61,;1.96,-3.38,;.63,-2.61,;-.71,-3.38,;-2.04,-2.61,;-3.38,-3.38,;-4.78,-2.75,;-5.81,-3.89,;-7.34,-3.73,;-7.97,-2.33,;-8.25,-4.98,;-7.62,-6.39,;-9.78,-4.82,;-10.69,-6.06,;-12.22,-5.9,;-12.84,-4.5,;-14.38,-4.33,;-11.94,-3.25,;-10.41,-3.41,;-5.04,-5.23,;-5.67,-6.63,;-3.54,-4.91,;-2.39,-5.94,;4.63,-.3,;4.63,1.24,;5.96,-1.07,;7.29,-.3,;7.29,1.24,;8.63,2.01,;9.96,1.24,;11.3,2.01,;9.96,-.3,;8.63,-1.07,)|
Show InChI InChI=1S/C41H47N5O5/c1-25-19-27-7-5-6-8-29(27)24-46(25)40(49)37-21-30-23-45(41(50)51-34-15-9-31(42)10-16-34)18-17-28(30)20-36(37)38-22-35(26(2)43(38)3)39(48)44(4)32-11-13-33(47)14-12-32/h5-8,11-14,20-22,25,31,34,47H,9-10,15-19,23-24,42H2,1-4H3/t25-,31-,34-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354592
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H50N6O5/c1-31-40(44(54)49(4)36-14-16-38(53)17-15-36)27-43(48(31)3)41-25-33-18-19-51(46(56)57-39-12-6-5-7-13-39)28-35(33)26-42(41)45(55)52-29-34-11-9-8-10-32(34)24-37(52)30-50-22-20-47(2)21-23-50/h5-17,25-27,37,53H,18-24,28-30H2,1-4H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354656
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O6/c1-32-41(45(54)49(3)37-15-17-39(53)18-16-37)29-44(48(32)2)42-27-34-19-21-51(47(56)58-40-13-5-4-6-14-40)30-36(34)28-43(42)46(55)52-31-35-11-8-7-10-33(35)26-38(52)12-9-20-50-22-24-57-25-23-50/h4-8,10-11,13-18,27-29,38,53H,9,12,19-26,30-31H2,1-3H3/t38-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353033
PNG
(3-{2-[2-(4-{[2-(Dimethylamino)ethyl]amino}phenyl)a...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1ccc(NCCN(C)C)cc1
Show InChI InChI=1S/C48H54N6O4/c1-32-25-34-9-5-6-10-36(34)31-54(32)48(58)42-28-37-30-52(46(56)26-33-12-14-38(15-13-33)49-21-24-50(2)3)23-20-35(37)27-41(42)45-29-43(44-11-7-8-22-53(44)45)47(57)51(4)39-16-18-40(55)19-17-39/h5-6,9-10,12-19,27-29,32,49,55H,7-8,11,20-26,30-31H2,1-4H3/t32-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354556
PNG
(4-Cyanophenyl 6-{4-[(4-hydroxyphenyl)(methyl)carba...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(cc2)C#N)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H46N6O6/c1-30-40(44(54)49(3)36-10-12-38(53)13-11-36)25-43(48(30)2)41-23-33-16-17-51(46(56)58-39-14-8-31(26-47)9-15-39)27-35(33)24-42(41)45(55)52-28-34-7-5-4-6-32(34)22-37(52)29-50-18-20-57-21-19-50/h4-15,23-25,37,53H,16-22,27-29H2,1-3H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354639
PNG
(Cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoy...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)OC2CCCCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C45H53N5O6/c1-30-39(43(52)47(3)35-13-15-37(51)16-14-35)26-42(46(30)2)40-24-32-17-18-49(45(54)56-38-11-5-4-6-12-38)27-34(32)25-41(40)44(53)50-28-33-10-8-7-9-31(33)23-36(50)29-48-19-21-55-22-20-48/h7-10,13-16,24-26,36,38,51H,4-6,11-12,17-23,27-29H2,1-3H3/t36-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353046
PNG
(4-Methoxyphenyl 6-{1-[(4-hydroxyphenyl)(methyl)car...)
Show SMILES COc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccc(O)cc5)c5CCCCn45)c(cc3C2)C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1
Show InChI InChI=1S/C48H51N5O7/c1-49(36-10-12-38(54)13-11-36)46(55)43-28-45(52-19-6-5-9-44(43)52)41-26-33-18-20-51(48(57)60-40-16-14-39(58-2)15-17-40)29-35(33)27-42(41)47(56)53-30-34-8-4-3-7-32(34)25-37(53)31-50-21-23-59-24-22-50/h3-4,7-8,10-17,26-28,37,54H,5-6,9,18-25,29-31H2,1-2H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354598
PNG
(3-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(OCCN(C)C)c1
Show InChI InChI=1S/C45H49N5O6/c1-29-22-31-10-7-8-11-33(31)28-50(29)44(53)41-24-34-27-49(45(54)56-38-13-9-12-37(25-38)55-21-20-46(3)4)19-18-32(34)23-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-14-16-36(51)17-15-35/h7-17,23-26,29,51H,18-22,27-28H2,1-6H3/t29-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354594
PNG
(N-Butyl-N-(4-hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S...)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C49H55N5O5/c1-4-5-20-53(40-15-17-42(55)18-16-40)48(57)43-30-46(50(3)34(43)2)44-28-37-19-21-52(47(56)26-35-11-7-6-8-12-35)31-39(37)29-45(44)49(58)54-32-38-14-10-9-13-36(38)27-41(54)33-51-22-24-59-25-23-51/h6-18,28-30,41,55H,4-5,19-27,31-33H2,1-3H3/t41-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM352993
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1
Show InChI InChI=1S/C41H40N4O5/c1-26-20-28-10-8-9-11-30(28)25-45(26)40(48)37-22-31-24-44(41(49)50-34-12-6-5-7-13-34)19-18-29(31)21-36(37)38-23-35(27(2)42(38)3)39(47)43(4)32-14-16-33(46)17-15-32/h5-17,21-23,26,46H,18-20,24-25H2,1-4H3/t26-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354627
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-[...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O5/c1-32-41(46(55)49(3)38-13-15-40(53)16-14-38)29-44(48(32)2)42-27-35-17-20-51(45(54)25-33-9-5-4-6-10-33)30-37(35)28-43(42)47(56)52-31-36-12-8-7-11-34(36)26-39(52)18-19-50-21-23-57-24-22-50/h4-16,27-29,39,53H,17-26,30-31H2,1-3H3/t39-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354558
PNG
(4-Cyano-2-methoxyphenyl 6-{1-[(4-hydroxyphenyl)(me...)
Show SMILES COc1cc(ccc1OC(=O)N1CCc2cc(-c3cc(C(=O)N(C)c4ccc(O)cc4)c4CCCCn34)c(cc2C1)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C#N
Show InChI InChI=1S/C49H50N6O7/c1-51(37-11-13-39(56)14-12-37)47(57)42-27-44(54-17-6-5-9-43(42)54)40-25-34-16-18-53(49(59)62-45-15-10-32(28-50)23-46(45)60-2)29-36(34)26-41(40)48(58)55-30-35-8-4-3-7-33(35)24-38(55)31-52-19-21-61-22-20-52/h3-4,7-8,10-15,23,25-27,38,56H,5-6,9,16-22,24,29-31H2,1-2H3/t38-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354589
PNG
(Phenyl 6-{4-[butyl(4-hydroxyphenyl)carbamoyl]-1,5-...)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C48H53N5O6/c1-4-5-20-52(38-15-17-40(54)18-16-38)46(55)42-29-45(49(3)33(42)2)43-27-35-19-21-51(48(57)59-41-13-7-6-8-14-41)30-37(35)28-44(43)47(56)53-31-36-12-10-9-11-34(36)26-39(53)32-50-22-24-58-25-23-50/h6-18,27-29,39,54H,4-5,19-26,30-32H2,1-3H3/t39-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354626
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-[...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H52N6O4/c1-32-41(46(56)50(4)38-14-16-40(54)17-15-38)28-44(49(32)3)42-26-35-18-19-52(45(55)24-33-10-6-5-7-11-33)29-37(35)27-43(42)47(57)53-30-36-13-9-8-12-34(36)25-39(53)31-51-22-20-48(2)21-23-51/h5-17,26-28,39,54H,18-25,29-31H2,1-4H3/t39-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354653
PNG
(Tolyl 6-[4-[(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-...)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(C)cc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C52H53N7O6/c1-33-10-16-44(17-11-33)65-52(63)57-19-18-37-25-46(47(26-39(37)30-57)50(61)58-31-38-9-7-6-8-36(38)24-42(58)32-56-20-22-64-23-21-56)49-28-45(34(2)55(49)5)51(62)59(40-12-14-43(60)15-13-40)48-27-41(29-53)54(4)35(48)3/h6-17,25-28,42,60H,18-24,30-32H2,1-5H3/t42-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM352994
PNG
(Phenyl 6-{1-[(4-hydroxyphenyl)(methyl)carbamoyl]-5...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H49N5O6/c1-48(36-14-16-38(53)17-15-36)45(54)42-28-44(51-19-8-7-13-43(42)51)40-26-33-18-20-50(47(56)58-39-11-3-2-4-12-39)29-35(33)27-41(40)46(55)52-30-34-10-6-5-9-32(34)25-37(52)31-49-21-23-57-24-22-49/h2-6,9-12,14-17,26-28,37,53H,7-8,13,18-25,29-31H2,1H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354657
PNG
(Cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoy...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)C(=O)OC2CCCCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H57N5O6/c1-32-41(45(54)49(3)37-15-17-39(53)18-16-37)29-44(48(32)2)42-27-34-19-21-51(47(56)58-40-13-5-4-6-14-40)30-36(34)28-43(42)46(55)52-31-35-11-8-7-10-33(35)26-38(52)12-9-20-50-22-24-57-25-23-50/h7-8,10-11,15-18,27-29,38,40,53H,4-6,9,12-14,19-26,30-31H2,1-3H3/t38-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353055
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-(...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)CCc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O5/c1-32-41(46(55)49(3)38-14-16-40(53)17-15-38)28-44(48(32)2)42-26-35-19-20-51(45(54)18-13-33-9-5-4-6-10-33)29-37(35)27-43(42)47(56)52-30-36-12-8-7-11-34(36)25-39(52)31-50-21-23-57-24-22-50/h4-12,14-17,26-28,39,53H,13,18-25,29-31H2,1-3H3/t39-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM352984
PNG
(4-Acetamidophenyl 6-{1-[(4-hydroxyphenyl)(methyl)c...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Oc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C45H45N5O6/c1-28-22-30-8-4-5-9-32(30)27-50(28)44(54)39-24-33-26-48(45(55)56-37-17-11-34(12-18-37)46-29(2)51)21-19-31(33)23-38(39)42-25-40(41-10-6-7-20-49(41)42)43(53)47(3)35-13-15-36(52)16-14-35/h4-5,8-9,11-18,23-25,28,52H,6-7,10,19-22,26-27H2,1-3H3,(H,46,51)/t28-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354565
PNG
(4-[2-(Dimethylcarbamoyl)ethyl]phenyl 6-{1-[(4-hydr...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Oc1ccc(CCC(=O)N(C)C)cc1
Show InChI InChI=1S/C48H51N5O6/c1-31-25-33-9-5-6-10-35(33)30-53(31)47(57)41-27-36-29-51(48(58)59-39-19-12-32(13-20-39)14-21-45(55)49(2)3)24-22-34(36)26-40(41)44-28-42(43-11-7-8-23-52(43)44)46(56)50(4)37-15-17-38(54)18-16-37/h5-6,9-10,12-13,15-20,26-28,31,54H,7-8,11,14,21-25,29-30H2,1-4H3/t31-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354557
PNG
(4-Cyanophenyl 6-{4-[(4-hydroxyphenyl)(methyl)carba...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C42H39N5O5/c1-26-19-29-7-5-6-8-31(29)25-47(26)41(50)38-21-32-24-46(42(51)52-35-15-9-28(23-43)10-16-35)18-17-30(32)20-37(38)39-22-36(27(2)44(39)3)40(49)45(4)33-11-13-34(48)14-12-33/h5-16,20-22,26,48H,17-19,24-25H2,1-4H3/t26-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354604
PNG
(4-{[2-(Dimethylamino)ethyl]amino}phenyl 6-{1,5-dim...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccccc2)c(C)n1C)C(=O)Oc1ccc(NCCN(C)C)cc1
Show InChI InChI=1S/C45H50N6O4/c1-30-24-32-12-10-11-13-34(32)29-51(30)44(53)41-26-35-28-50(45(54)55-38-18-16-36(17-19-38)46-21-23-47(3)4)22-20-33(35)25-40(41)42-27-39(31(2)48(42)5)43(52)49(6)37-14-8-7-9-15-37/h7-19,25-27,30,46H,20-24,28-29H2,1-6H3/t30-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353054
PNG
(N-(4-Hydroxyphenyl)-N-methyl-3-{7-[(3R)-3-methyl-1...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C49H53N5O5/c1-33-25-36-7-3-4-8-38(36)32-54(33)49(58)43-28-39-31-52(47(56)26-34-10-12-35(13-11-34)30-51-21-23-59-24-22-51)20-18-37(39)27-42(43)46-29-44(45-9-5-6-19-53(45)46)48(57)50(2)40-14-16-41(55)17-15-40/h3-4,7-8,10-17,27-29,33,55H,5-6,9,18-26,30-32H2,1-2H3/t33-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354579
PNG
(N-(4-Hydroxyphenyl)-N-methyl-3-{7-[(3R)-3-methyl-1...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1cccc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C49H54N6O4/c1-33-25-35-10-4-5-11-37(35)32-55(33)49(59)43-29-38-31-53(47(57)27-34-9-8-12-40(26-34)52-23-21-50(2)22-24-52)20-18-36(38)28-42(43)46-30-44(45-13-6-7-19-54(45)46)48(58)51(3)39-14-16-41(56)17-15-39/h4-5,8-12,14-17,26,28-30,33,56H,6-7,13,18-25,27,31-32H2,1-3H3/t33-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354633
PNG
(4-Methylphenyl 6-{1,5-dimethyl-4-[methyl(phenyl)ca...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccccc2)c(C)n1C)C(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C42H42N4O4/c1-27-15-17-35(18-16-27)50-42(49)45-20-19-31-22-37(39-24-36(29(3)43(39)4)40(47)44(5)34-13-7-6-8-14-34)38(23-33(31)25-45)41(48)46-26-32-12-10-9-11-30(32)21-28(46)2/h6-18,22-24,28H,19-21,25-26H2,1-5H3/t28-/m1/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353052
PNG
(4-Cyanophenyl 6-{1-[(4-hydroxyphenyl)(methyl)carba...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(cc2)C#N)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H48N6O6/c1-50(37-11-13-39(55)14-12-37)46(56)43-27-45(53-18-5-4-8-44(43)53)41-25-34-17-19-52(48(58)60-40-15-9-32(28-49)10-16-40)29-36(34)26-42(41)47(57)54-30-35-7-3-2-6-33(35)24-38(54)31-51-20-22-59-23-21-51/h2-3,6-7,9-16,25-27,38,55H,4-5,8,17-24,29-31H2,1H3/t38-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353040
PNG
(Phenyl 6-{1,5-dimethyl-4-[methyl(phenyl)carbamoyl]...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C45H47N5O5/c1-31-39(43(51)47(3)36-14-6-4-7-15-36)27-42(46(31)2)40-25-33-18-19-49(45(53)55-38-16-8-5-9-17-38)28-35(33)26-41(40)44(52)50-29-34-13-11-10-12-32(34)24-37(50)30-48-20-22-54-23-21-48/h4-17,25-27,37H,18-24,28-30H2,1-3H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354582
PNG
(5-{2-[2-(2H-1,3-Benzodioxol-5-yl)acetyl]-6-[(3R)-3...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(Cc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C42H40N4O6/c1-25-15-28-7-5-6-8-29(28)23-46(25)42(50)36-19-31-22-45(40(48)17-27-9-14-38-39(16-27)52-24-51-38)21-30(31)18-35(36)37-20-34(26(2)43(37)3)41(49)44(4)32-10-12-33(47)13-11-32/h5-14,16,18-20,25,47H,15,17,21-24H2,1-4H3/t25-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354591
PNG
(Phenyl 7-[(3S)-3-[(dimethylamino)methyl]-1,2,3,4-t...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1
Show InChI InChI=1S/C43H45N5O5/c1-28-37(41(50)46(5)33-15-17-35(49)18-16-33)24-40(45(28)4)38-22-30-19-20-47(43(52)53-36-13-7-6-8-14-36)25-32(30)23-39(38)42(51)48-26-31-12-10-9-11-29(31)21-34(48)27-44(2)3/h6-18,22-24,34,49H,19-21,25-27H2,1-5H3/t34-/m0/s1
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US Patent
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354638
PNG
(Cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)OC1CCCCC1
Show InChI InChI=1S/C41H46N4O5/c1-26-20-28-10-8-9-11-30(28)25-45(26)40(48)37-22-31-24-44(41(49)50-34-12-6-5-7-13-34)19-18-29(31)21-36(37)38-23-35(27(2)42(38)3)39(47)43(4)32-14-16-33(46)17-15-32/h8-11,14-17,21-23,26,34,46H,5-7,12-13,18-20,24-25H2,1-4H3/t26-/m1/s1
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US Patent
n/an/a 3.40n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353043
PNG
(N,1,2-Trimethyl-5-{7-[(3R)-3-methyl-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccccc2)c(C)n1C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C42H42N4O3/c1-28-21-31-15-11-12-16-33(31)27-46(28)42(49)38-24-34-26-45(40(47)22-30-13-7-5-8-14-30)20-19-32(34)23-37(38)39-25-36(29(2)43(39)3)41(48)44(4)35-17-9-6-10-18-35/h5-18,23-25,28H,19-22,26-27H2,1-4H3/t28-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353014
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-(...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H49N5O5/c1-31-40(45(54)48(3)37-13-15-39(52)16-14-37)27-43(47(31)2)41-25-34-17-18-50(44(53)23-32-9-5-4-6-10-32)28-36(34)26-42(41)46(55)51-29-35-12-8-7-11-33(35)24-38(51)30-49-19-21-56-22-20-49/h4-16,25-27,38,52H,17-24,28-30H2,1-3H3/t38-/m0/s1
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US Patent
n/an/a 3.5n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM353053
PNG
(2-Methoxyphenyl 6-{1-[(4-hydroxyphenyl)(methyl)car...)
Show SMILES COc1ccccc1OC(=O)N1CCc2cc(-c3cc(C(=O)N(C)c4ccc(O)cc4)c4CCCCn34)c(cc2C1)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1
Show InChI InChI=1S/C48H51N5O7/c1-49(36-14-16-38(54)17-15-36)46(55)41-28-43(52-19-8-7-11-42(41)52)39-26-33-18-20-51(48(57)60-45-13-6-5-12-44(45)58-2)29-35(33)27-40(39)47(56)53-30-34-10-4-3-9-32(34)25-37(53)31-50-21-23-59-24-22-50/h3-6,9-10,12-17,26-28,37,54H,7-8,11,18-25,29-31H2,1-2H3/t37-/m0/s1
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LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM354628
PNG
(N-Ethyl-N-(4-hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S...)
Show SMILES CCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O5/c1-4-51(38-14-16-40(53)17-15-38)46(55)41-28-44(48(3)32(41)2)42-26-35-18-19-50(45(54)24-33-10-6-5-7-11-33)29-37(35)27-43(42)47(56)52-30-36-13-9-8-12-34(36)25-39(52)31-49-20-22-57-23-21-49/h5-17,26-28,39,53H,4,18-25,29-31H2,1-3H3/t39-/m0/s1
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US Patent
n/an/a 3.5n/an/an/an/an/an/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...

US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%