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Compile Data Set for Download or QSAR

Found 129 hits of kd for UniProtKB: P10415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/an/a 0.600n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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n/an/an/a 0.650n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measure...


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50586598
PNG
(CHEMBL5077514)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
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n/an/an/a 1.20n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measure...


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50586597
PNG
(CHEMBL5073297)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
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n/an/an/a 1.5n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measure...


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426415
PNG
(CHEMBL2326747)
Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50554894
PNG
(CHEMBL4782402)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
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n/an/an/a 2.10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human full-length N-terminal His6-tagged prephosphorylated Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract aft...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01290
BindingDB Entry DOI: 10.7270/Q26D5XN6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50586596
PNG
(CHEMBL5087367)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2cc(ccc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:74|
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n/an/an/a 2.30n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measure...


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50554895
PNG
(CHEMBL4776750)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
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n/an/an/a 2.70n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract after 30 mins using F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01290
BindingDB Entry DOI: 10.7270/Q26D5XN6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426416
PNG
(CHEMBL2326746)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1
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n/an/an/a 3n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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n/an/an/a 3.10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titrati...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01290
BindingDB Entry DOI: 10.7270/Q26D5XN6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426418
PNG
(CHEMBL2326744)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1
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n/an/an/a 5n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426417
PNG
(CHEMBL2326745)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1
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n/an/an/a 7n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426421
PNG
(CHEMBL2322026)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1
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n/an/an/a 8n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50426412
PNG
(CHEMBL2322022)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Novartis Institutes for BioMedical Research Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis


ACS Med Chem Lett 4: 186-90 (2013)


Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552906
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-5-yl-oxy)-4-(4-((2-(3-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(Cl)(C1)C2 |c:57|
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n/an/an/a<10n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552907
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552908
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-f...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(F)(C1)C2 |c:57|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552909
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-N-((4-(((7-...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CC5(C4)CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552910
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)CC1 |t:48|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552911
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552912
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552913
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552914
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552915
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-e...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552916
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552917
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552918
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:32.34,35.38,wD:35.39,c:9,(-5.73,-12.67,;-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552919
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:57|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552920
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552921
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552922
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.41,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.41,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.84,-12.52,;-1.19,-13.1,;-1.48,-12.51,;-4.19,-13.28,;-5.51,-12.49,;-4.2,-14.82,;-5.53,-14.03,)|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552923
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:57|
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Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM595425
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(4.59,-10.67,;3.05,-10.67,;3.82,-12,;3.05,-9.13,;1.72,-8.36,;.39,-9.13,;-.95,-8.36,;-.95,-6.82,;-2.28,-6.05,;-2.28,-4.51,;-.95,-3.74,;.39,-4.51,;.39,-6.05,;-.95,-2.2,;.39,-1.43,;.39,.11,;-.95,.88,;-.95,2.42,;-2.28,3.19,;.39,3.19,;1.72,2.42,;3.05,1.65,;.95,1.09,;2.49,3.76,;4.03,3.76,;4.8,5.09,;4.03,6.42,;4.8,7.76,;6.34,7.76,;7.11,9.09,;6.34,10.42,;7.11,11.76,;8.65,11.76,;9.98,12.53,;8.65,13.3,;9.42,10.42,;8.65,9.09,;2.46,6.47,;1.72,5.09,;1.69,7.8,;2.46,9.14,;.15,7.8,;-2.28,.11,;-3.61,.88,;-4.95,.11,;-4.95,-1.43,;-6.28,-2.2,;-7.61,-1.43,;-9.08,-1.9,;-9.98,-.66,;-9.08,.59,;-7.61,.11,;-6.28,.88,;-2.28,-1.43,;.39,-10.67,;1.72,-11.44,;-.95,-11.44,;-2.43,-11.04,;-3.02,-12.53,;-1.19,-13.08,;-1.58,-12.54,;-4.39,-13.25,;-4.45,-14.78,;-5.69,-12.42,)|
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Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552925
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
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Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552926
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
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Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552927
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:48|
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Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552929
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-(...)
Show SMILES CC(F)(F)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:11|
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Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552906
PNG
(2-(1H-Pyrrolo[2,3-b]pyridin-5-yl-oxy)-4-(4-((2-(3-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(Cl)(C1)C2 |c:57|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552907
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552908
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-f...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(F)(C1)C2 |c:57|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552909
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-N-((4-(((7-...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CC5(C4)CCOCC5)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552910
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)CC1 |t:48|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552911
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552912
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:8|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552913
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552914
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
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Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552915
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-e...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552916
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM552917
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
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