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7 similar compounds to monomer 139051

Compile data set for download or QSAR
Wt: 843.0
BDBM139040
Wt: 972.1
BDBM139041
Wt: 966.1
BDBM139042
Wt: 807.9
BDBM139046
Wt: 898.0
BDBM139047
Wt: 912.0
BDBM139050
Wt: 903.0
BDBM139053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 139040,139041,139042,139046,139047,139050,139053   
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
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 -13.9n/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))
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 -13.6n/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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US Patent
0.100 -13.6n/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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US Patent
0.200 -13.2n/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))
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 -12.0n/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 -10.8n/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
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 -10.8n/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