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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 11149   
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))		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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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
Bcl-2-like protein 1


(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 55n/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		3D
3D Structure (crystal)
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
Bcl-2-like protein 1


(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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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
Bcl-2-like protein 1


(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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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
Bcl-2-like protein 1


(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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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
Bcl-2-like protein 1


(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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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))		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
Bcl-2-like protein 1


(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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		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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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
Bcl-2-like protein 1


(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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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))		BDBM555324
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC(C)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:10|
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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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM555324
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC(C)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:10|
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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))		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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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
Bcl-2-like protein 1


(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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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))		BDBM552930
PNG
((R)-4-(4-((5,5-Dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=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)CC(C)(C)CC1 |r,c:8|
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n/an/an/a>100n/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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM552930
PNG
((R)-4-(4-((5,5-Dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=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)CC(C)(C)CC1 |r,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
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