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Patent code US8883784

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139051
PNG
(US8883784, 12)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H38F3N7O6S5/c1-49(2)19-18-26(23-57-27-10-4-3-5-11-27)44-32-16-15-28(21-35(32)60(53,54)40(41,42)43)61(55,56)48-37(52)33-24-58-39(46-33)50-20-17-25-9-8-12-29(30(25)22-50)36(51)47-38-45-31-13-6-7-14-34(31)59-38/h3-16,21,24,26,44H,17-20,22-23H2,1-2H3,(H,48,52)(H,45,47,51)/t26-/m1/s1
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US Patent
 0.0400 -59.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139050
PNG
(US8883784, 11)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H40F3N7O6S4/c1-50(2)22-9-21-45-32-18-17-28(24-35(32)60(54,55)41(42,43)44)61(56,57)49-38(53)36-34(19-16-26-10-4-3-5-11-26)59-40(47-36)51-23-20-27-12-8-13-29(30(27)25-51)37(52)48-39-46-31-14-6-7-15-33(31)58-39/h3-8,10-15,17-18,24,45H,9,16,19-23,25H2,1-2H3,(H,49,53)(H,46,48,52)
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US Patent
 0.0600 -58.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139040
PNG
(US8883784, 1)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1
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US Patent
 0.100 -57.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139041
PNG
(US8883784, 2)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
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 0.100 -57.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139049
PNG
(US8883784, 10)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H40N8O7S4/c50-38(45-40-43-34-11-4-5-12-37(34)59-40)31-10-6-7-27-15-18-48(24-32(27)31)41-44-35(26-58-41)39(51)46-60(54,55)30-13-14-33(36(23-30)49(52)53)42-28(16-17-47-19-21-56-22-20-47)25-57-29-8-2-1-3-9-29/h1-14,23,26,28,42H,15-22,24-25H2,(H,46,51)(H,43,45,50)/t28-/m1/s1
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US Patent
 0.140 -56.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139053
PNG
(US8883784, 14)
Show SMILES OCC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H33F3N6O7S5/c39-38(40,41)58(51,52)33-19-26(13-14-30(33)42-24(16-18-48)21-55-25-8-2-1-3-9-25)59(53,54)46-35(50)31-22-56-37(44-31)47-17-15-23-7-6-10-27(28(23)20-47)34(49)45-36-43-29-11-4-5-12-32(29)57-36/h1-14,19,22,24,42,48H,15-18,20-21H2,(H,46,50)(H,43,45,49)/t24-/m1/s1
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 0.200 -55.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139052
PNG
(US8883784, 13)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H40N8O6S3/c1-46(2)22-9-21-41-31-18-17-28(24-33(31)48(51)52)57(53,54)45-38(50)36-35(19-16-26-10-4-3-5-11-26)56-40(43-36)47-23-20-27-12-8-13-29(30(27)25-47)37(49)44-39-42-32-14-6-7-15-34(32)55-39/h3-8,10-15,17-18,24,41H,9,16,19-23,25H2,1-2H3,(H,45,50)(H,42,44,49)
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US Patent
 0.800 -51.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139046
PNG
(US8883784, 7)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H32F3N7O6S4/c1-42(2)15-6-14-37-25-12-11-21(17-28(25)52(46,47)33(34,35)36)53(48,49)41-30(45)26-19-50-32(39-26)43-16-13-20-7-5-8-22(23(20)18-43)29(44)40-31-38-24-9-3-4-10-27(24)51-31/h3-5,7-12,17,19,37H,6,13-16,18H2,1-2H3,(H,41,45)(H,38,40,44)
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US Patent
 1.70 -50.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139054
PNG
(US8883784, 15)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H42N8O6S3/c1-47(2)23-10-22-42-32-20-19-29(25-34(32)49(52)53)58(54,55)46-39(51)37-36(18-8-13-27-11-4-3-5-12-27)57-41(44-37)48-24-21-28-14-9-15-30(31(28)26-48)38(50)45-40-43-33-16-6-7-17-35(33)56-40/h3-7,9,11-12,14-17,19-20,25,42H,8,10,13,18,21-24,26H2,1-2H3,(H,46,51)(H,43,45,50)
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US Patent
 5 -47.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139043
PNG
(US8883784, 4)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C43H44N8O6S2/c1-49(2)25-10-24-44-35-21-20-32(27-37(35)51(54)55)59(56,57)48-42(53)40-31(15-8-13-29-11-4-3-5-12-29)19-22-39(46-40)50-26-23-30-14-9-16-33(34(30)28-50)41(52)47-43-45-36-17-6-7-18-38(36)58-43/h3-7,9,11-12,14,16-22,27,44H,8,10,13,15,23-26,28H2,1-2H3,(H,48,53)(H,45,47,52)
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 9 -45.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139047
PNG
(US8883784, 8)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H38F3N7O6S4/c1-49(2)20-9-19-44-31-17-16-27(23-34(31)59(53,54)40(41,42)43)60(55,56)48-37(52)35-33(22-25-10-4-3-5-11-25)58-39(46-35)50-21-18-26-12-8-13-28(29(26)24-50)36(51)47-38-45-30-14-6-7-15-32(30)57-38/h3-8,10-17,23,44H,9,18-22,24H2,1-2H3,(H,48,52)(H,45,47,51)
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 11 -45.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139042
PNG
(US8883784, 3)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C44H42F3N7O7S4/c45-44(46,47)64(57,58)39-26-32(16-17-36(39)48-30(19-20-53-22-24-61-25-23-53)28-62-31-9-2-1-3-10-31)65(59,60)52-42(56)37-13-7-15-40(49-37)54-21-18-29-8-6-11-33(34(29)27-54)41(55)51-43-50-35-12-4-5-14-38(35)63-43/h1-17,26,30,48H,18-25,27-28H2,(H,52,56)(H,50,51,55)/t30-/m1/s1
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 12 -45.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139045
PNG
(US8883784, 6)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H42N8O6S2/c1-48(2)24-9-23-43-34-20-19-31(26-36(34)50(53)54)58(55,56)47-41(52)39-30(17-16-28-10-4-3-5-11-28)18-21-38(45-39)49-25-22-29-12-8-13-32(33(29)27-49)40(51)46-42-44-35-14-6-7-15-37(35)57-42/h3-8,10-15,18-21,26,43H,9,16-17,22-25,27H2,1-2H3,(H,47,52)(H,44,46,51)
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US Patent
 17 -44.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139048
PNG
(US8883784, 9)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S3/c1-45(2)20-9-19-40-30-17-16-27(23-32(30)47(50)51)56(52,53)44-37(49)35-34(22-25-10-4-3-5-11-25)55-39(42-35)46-21-18-26-12-8-13-28(29(26)24-46)36(48)43-38-41-31-14-6-7-15-33(31)54-38/h3-8,10-17,23,40H,9,18-22,24H2,1-2H3,(H,44,49)(H,41,43,48)
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US Patent
 41 -42.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM139044
PNG
(US8883784, 5)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C44H44F3N7O6S3/c1-53(2)25-10-24-48-36-21-20-32(27-38(36)62(57,58)44(45,46)47)63(59,60)52-42(56)40-31(15-8-13-29-11-4-3-5-12-29)19-22-39(50-40)54-26-23-30-14-9-16-33(34(30)28-54)41(55)51-43-49-35-17-6-7-18-37(35)61-43/h3-7,9,11-12,14,16-22,27,48H,8,10,13,15,23-26,28H2,1-2H3,(H,52,56)(H,49,51,55)
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US Patent
 48 -41.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...

US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%