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9 similar compounds to monomer 185598

Compile data set for download or QSAR
Wt: 743.9
BDBM185592
Wt: 751.9
BDBM185593
Wt: 811.0
BDBM185594
Wt: 847.5
BDBM185597
Wt: 879.5
BDBM185599
Wt: 886.5
BDBM185622
Wt: 860.4
BDBM185623
Wt: 902.5
BDBM185624
Wt: 773.9
BDBM185625

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 185592,185593,185594,185597,185599,185622,185623,185624,185625   
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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185597
PNG
(US9156856, 7 | US9493431, 7)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-20,27,30,35,44H,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1
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US Patent
0.0840 -13.7n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185597
PNG
(US9156856, 7 | US9493431, 7)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-20,27,30,35,44H,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1
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US Patent
0.0840 -13.7n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185599
PNG
(US9156856, 9 | US9493431, 9)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H55ClN6O5S3/c1-31(2)48(5)22-20-36(30-57-38-9-7-6-8-10-38)46-43-40(51(53)54)27-41(58-43)59(55,56)47-42(52)33-13-17-37(18-14-33)50-25-23-49(24-26-50)29-34-28-44(3,4)21-19-39(34)32-11-15-35(45)16-12-32/h6-18,27,31,36,46H,19-26,28-30H2,1-5H3,(H,47,52)/t36-/m1/s1
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US Patent
0.307 -13.0n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185599
PNG
(US9156856, 9 | US9493431, 9)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H55ClN6O5S3/c1-31(2)48(5)22-20-36(30-57-38-9-7-6-8-10-38)46-43-40(51(53)54)27-41(58-43)59(55,56)47-42(52)33-13-17-37(18-14-33)50-25-23-49(24-26-50)29-34-28-44(3,4)21-19-39(34)32-11-15-35(45)16-12-32/h6-18,27,31,36,46H,19-26,28-30H2,1-5H3,(H,47,52)/t36-/m1/s1
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0.307 -13.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185622
PNG
(US9156856, 33 | US9493431, 33)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClN7O6S2/c1-45(2)16-14-33(38(29-45)31-6-8-34(46)9-7-31)30-51-22-24-52(25-23-51)35-10-12-37(41(27-35)59-36-11-13-39-32(26-36)15-18-47-39)43(54)49-61(57,58)42-28-40(53(55)56)44(60-42)48-17-5-21-50-19-3-4-20-50/h6-13,15,18,26-28,47-48H,3-5,14,16-17,19-25,29-30H2,1-2H3,(H,49,54)
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US Patent
0.649 -12.5n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185622
PNG
(US9156856, 33 | US9493431, 33)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClN7O6S2/c1-45(2)16-14-33(38(29-45)31-6-8-34(46)9-7-31)30-51-22-24-52(25-23-51)35-10-12-37(41(27-35)59-36-11-13-39-32(26-36)15-18-47-39)43(54)49-61(57,58)42-28-40(53(55)56)44(60-42)48-17-5-21-50-19-3-4-20-50/h6-13,15,18,26-28,47-48H,3-5,14,16-17,19-25,29-30H2,1-2H3,(H,49,54)
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0.649 -12.5n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185623
PNG
(US9156856, 34 | US9493431, 34)
Show SMILES CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H50ClN7O6S2/c1-43(2)16-14-31(36(27-43)29-6-8-32(44)9-7-29)28-49-20-22-50(23-21-49)33-10-12-35(39(25-33)57-34-11-13-37-30(24-34)15-18-45-37)41(52)47-59(55,56)40-26-38(51(53)54)42(58-40)46-17-5-19-48(3)4/h6-13,15,18,24-26,45-46H,5,14,16-17,19-23,27-28H2,1-4H3,(H,47,52)
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1.79 -11.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185623
PNG
(US9156856, 34 | US9493431, 34)
Show SMILES CN(C)CCCNc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H50ClN7O6S2/c1-43(2)16-14-31(36(27-43)29-6-8-32(44)9-7-29)28-49-20-22-50(23-21-49)33-10-12-35(39(25-33)57-34-11-13-37-30(24-34)15-18-45-37)41(52)47-59(55,56)40-26-38(51(53)54)42(58-40)46-17-5-19-48(3)4/h6-13,15,18,24-26,45-46H,5,14,16-17,19-23,27-28H2,1-4H3,(H,47,52)
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US Patent
1.79 -11.9n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185624
PNG
(US9156856, 35 | US9493431, 35)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCOCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClN7O7S2/c1-45(2)14-12-33(38(29-45)31-4-6-34(46)7-5-31)30-51-18-20-52(21-19-51)35-8-10-37(41(27-35)60-36-9-11-39-32(26-36)13-16-47-39)43(54)49-62(57,58)42-28-40(53(55)56)44(61-42)48-15-3-17-50-22-24-59-25-23-50/h4-11,13,16,26-28,47-48H,3,12,14-15,17-25,29-30H2,1-2H3,(H,49,54)
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US Patent
2.07 -11.8n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185624
PNG
(US9156856, 35 | US9493431, 35)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cc(c(NCCCN4CCOCC4)s3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClN7O7S2/c1-45(2)14-12-33(38(29-45)31-4-6-34(46)7-5-31)30-51-18-20-52(21-19-51)35-8-10-37(41(27-35)60-36-9-11-39-32(26-36)13-16-47-39)43(54)49-62(57,58)42-28-40(53(55)56)44(61-42)48-15-3-17-50-22-24-59-25-23-50/h4-11,13,16,26-28,47-48H,3,12,14-15,17-25,29-30H2,1-2H3,(H,49,54)
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2.07 -11.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185592
PNG
(US9156856, 1 | US9493431, 1)
Show SMILES COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C36H49N5O6S3/c1-39(2)21-18-29(26-48-31-12-8-5-9-13-31)37-35-32(41(43)44)24-33(49-35)50(45,46)38-34(42)28-14-16-30(17-15-28)40-22-19-36(47-3,20-23-40)25-27-10-6-4-7-11-27/h5,8-9,12-17,24,27,29,37H,4,6-7,10-11,18-23,25-26H2,1-3H3,(H,38,42)/t29-/m1/s1
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51.4 -9.94n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185592
PNG
(US9156856, 1 | US9493431, 1)
Show SMILES COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C36H49N5O6S3/c1-39(2)21-18-29(26-48-31-12-8-5-9-13-31)37-35-32(41(43)44)24-33(49-35)50(45,46)38-34(42)28-14-16-30(17-15-28)40-22-19-36(47-3,20-23-40)25-27-10-6-4-7-11-27/h5,8-9,12-17,24,27,29,37H,4,6-7,10-11,18-23,25-26H2,1-3H3,(H,38,42)/t29-/m1/s1
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51.4 -9.94n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185594
PNG
(US9156856, 3 | US9493431, 3)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC=C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S3/c1-45(2)24-22-35(31-54-37-16-10-5-11-17-37)43-42-39(48(50)51)30-40(55-42)56(52,53)44-41(49)34-18-20-36(21-19-34)47-28-26-46(27-29-47)25-23-38(32-12-6-3-7-13-32)33-14-8-4-9-15-33/h3-21,23,30,35,43H,22,24-29,31H2,1-2H3,(H,44,49)/t35-/m1/s1
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51.7 -9.93n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185594
PNG
(US9156856, 3 | US9493431, 3)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC=C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S3/c1-45(2)24-22-35(31-54-37-16-10-5-11-17-37)43-42-39(48(50)51)30-40(55-42)56(52,53)44-41(49)34-18-20-36(21-19-34)47-28-26-46(27-29-47)25-23-38(32-12-6-3-7-13-32)33-14-8-4-9-15-33/h3-21,23,30,35,43H,22,24-29,31H2,1-2H3,(H,44,49)/t35-/m1/s1
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51.7 -9.93n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185593
PNG
(US9156856, 2 | US9493431, 2)
Show SMILES COC1(Cc2cccc(C)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C37H45N5O6S3/c1-27-9-8-10-28(23-27)25-37(48-4)18-21-41(22-19-37)31-15-13-29(14-16-31)35(43)39-51(46,47)34-24-33(42(44)45)36(50-34)38-30(17-20-40(2)3)26-49-32-11-6-5-7-12-32/h5-16,23-24,30,38H,17-22,25-26H2,1-4H3,(H,39,43)/t30-/m1/s1
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US Patent
82.9 -9.65n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185593
PNG
(US9156856, 2 | US9493431, 2)
Show SMILES COC1(Cc2cccc(C)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c(N[C@H](CCN(C)C)CSc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C37H45N5O6S3/c1-27-9-8-10-28(23-27)25-37(48-4)18-21-41(22-19-37)31-15-13-29(14-16-31)35(43)39-51(46,47)34-24-33(42(44)45)36(50-34)38-30(17-20-40(2)3)26-49-32-11-6-5-7-12-32/h5-16,23-24,30,38H,17-22,25-26H2,1-4H3,(H,39,43)/t30-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
82.9 -9.65n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185625
PNG
(US9156856, 36 | US9493431, 36)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C36H38F3N5O5S3/c1-42(2)19-18-28(24-50-30-9-4-3-5-10-30)40-35-32(44(46)47)23-33(51-35)52(48,49)41-34(45)26-12-14-29(15-13-26)43-20-16-25(17-21-43)22-27-8-6-7-11-31(27)36(37,38)39/h3-15,22-23,28,40H,16-21,24H2,1-2H3,(H,41,45)/t28-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
294 -8.90n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185625
PNG
(US9156856, 36 | US9493431, 36)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C36H38F3N5O5S3/c1-42(2)19-18-28(24-50-30-9-4-3-5-10-30)40-35-32(44(46)47)23-33(51-35)52(48,49)41-34(45)26-12-14-29(15-13-26)43-20-16-25(17-21-43)22-27-8-6-7-11-31(27)36(37,38)39/h3-15,22-23,28,40H,16-21,24H2,1-2H3,(H,41,45)/t28-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
294 -8.90n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair