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Compile Data Set for Download or QSAR

Found 77 hits of ki for UniProtKB: P09211   
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))
BDBM185629
PNG
(US9156856, 42 | US9493431, 42)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2c(F)c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H41ClF2N8O4S/c1-24-19-25(2)52-39(46-24)47-40(48-52)57(54,55)49-38(53)31-10-9-30(21-33(31)56-34-20-27-12-14-45-37(27)36(44)35(34)43)51-17-15-50(16-18-51)23-28-11-13-41(3,4)22-32(28)26-5-7-29(42)8-6-26/h5-10,12,14,19-21,45H,11,13,15-18,22-23H2,1-4H3,(H,49,53)
PDB

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
0.0390 -14.2n/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))
BDBM185628
PNG
(US9156856, 41 | US9493431, 41)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClFN8O4S/c1-25-19-26(2)51-39(45-25)46-40(47-51)56(53,54)48-38(52)32-10-9-31(21-36(32)55-37-20-28-12-14-44-35(28)22-34(37)43)50-17-15-49(16-18-50)24-29-11-13-41(3,4)23-33(29)27-5-7-30(42)8-6-27/h5-10,12,14,19-22,44H,11,13,15-18,23-24H2,1-4H3,(H,48,52)
PDB

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

Similars

US Patent
0.0530 -14.0n/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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185598
PNG
(US9156856, 8 | US9493431, 8)
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(CCCC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H51ClN6O5S3/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/h4-6,10-11,13-20,27,30,35,44H,7-9,12,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

US Patent
0.0640 -13.9n/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))
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
PDB

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

Similars

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
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
PDB

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

Similars

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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185627
PNG
(US9156856, 40 | US9493431, 40)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H41Cl2N7O4S/c1-25-20-26(2)48-37(42-25)43-38(44-48)53(50,51)45-36(49)33-13-12-31(22-35(33)52-32-7-5-6-30(41)21-32)47-18-16-46(17-19-47)24-28-14-15-39(3,4)23-34(28)27-8-10-29(40)11-9-27/h5-13,20-22H,14-19,23-24H2,1-4H3,(H,45,49)
PDB

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DrugBank
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PC sid
UniChem

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US Patent
0.407 -12.8n/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
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)
PDB

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PC sid
UniChem

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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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185635
PNG
(US9156856, 48 | US9493431, 48)
Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(47-28)56-27-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-38(33)57-37-6-4-5-36-35(37)25-46-48-36)51-19-17-50(18-20-51)26-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,25H,13-22,24,26-27H2,1-3H3,(H,46,48)(H,49,52)
PDB

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

Similars

US Patent
1.64 -12.0n/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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185633
PNG
(US9156856, 46 | US9493431, 46)
Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(48-28)56-26-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-37(33)57-36-6-4-5-35-38(36)47-27-46-35)51-19-17-50(18-20-51)25-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,27H,13-22,24-26H2,1-3H3,(H,46,47)(H,49,52)
PDB

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DrugBank
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PC sid
UniChem

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US Patent
1.75 -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))
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)
PDB

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DrugBank
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PC sid
UniChem

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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)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185632
PNG
(US9156856, 45 | US9493431, 45)
Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(48-28)56-27-43(45)13-20-55-21-14-43)59(53,54)49-39(52)35-9-8-33(23-37(35)57-34-22-30-11-15-46-38(30)47-25-34)51-18-16-50(17-19-51)26-31-10-12-42(2,3)24-36(31)29-4-6-32(44)7-5-29/h4-9,11,15,22-23,25H,10,12-14,16-21,24,26-27H2,1-3H3,(H,46,47)(H,49,52)
PDB

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UniChem

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US Patent
6.73 -11.1n/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))
BDBM185626
PNG
(US9156856, 39 | US9493431, 39)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H33Cl2N3O4S2/c1-26-35-23-30(41)15-18-37(35)49-39(26)50(46,47)42-38(45)34-17-16-31(24-36(34)48-32-8-3-2-4-9-32)44-21-19-43(20-22-44)25-28-7-5-6-10-33(28)27-11-13-29(40)14-12-27/h2-18,23-24H,19-22,25H2,1H3,(H,42,45)
PDB

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UniChem
US Patent
20.2 -10.5n/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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185634
PNG
(US9156856, 47 | US9493431, 47)
Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(50-30)61-29-35-28-55(22-23-60-35)45(57)63-46(2,3)4)65(58,59)52-42(56)36-15-14-34(24-41(36)62-40-9-7-8-39-38(40)26-49-51-39)54-20-18-53(19-21-54)27-32-16-17-47(5,6)25-37(32)31-10-12-33(48)13-11-31/h7-15,24,26,35H,16-23,25,27-29H2,1-6H3,(H,49,51)(H,52,56)/t35-/m0/s1
PDB

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US Patent
20.4 -10.5n/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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185631
PNG
(US9156856, 44 | US9493431, 44)
Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(51-30)61-28-35-27-55(22-23-60-35)45(57)63-46(2,3)4)65(58,59)52-42(56)36-15-14-34(24-40(36)62-39-9-7-8-38-41(39)50-29-49-38)54-20-18-53(19-21-54)26-32-16-17-47(5,6)25-37(32)31-10-12-33(48)13-11-31/h7-15,24,29,35H,16-23,25-28H2,1-6H3,(H,49,50)(H,52,56)/t35-/m0/s1
PDB

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UniChem

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US Patent
24.8 -10.4n/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))
BDBM185606
PNG
(US9156856, 16 | US9493431, 16)
Show SMILES FC(F)(F)c1scc(c1-c1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C35H29ClF3N3O3S2/c36-28-14-10-24(11-15-28)30-9-5-4-8-27(30)22-41-18-20-42(21-19-41)29-16-12-26(13-17-29)34(43)40-47(44,45)31-23-46-33(35(37,38)39)32(31)25-6-2-1-3-7-25/h1-17,23H,18-22H2,(H,40,43)
PDB

UniProtKB/SwissProt

DrugBank
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PC cid
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UniChem
US Patent
37.9 -10.1n/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))
BDBM185630
PNG
(US9156856, 43 | US9493431, 43)
Show SMILES Cc1nc(OC[C@@H]2CN(CCO2)C(=O)OC(C)(C)C)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H56ClN7O8S2/c1-30-43(64-44(51-30)61-29-37-28-55(21-22-60-37)45(57)63-46(2,3)4)65(58,59)52-42(56)38-12-11-35(24-40(38)62-36-23-32-14-16-49-41(32)50-26-36)54-19-17-53(18-20-54)27-33-13-15-47(5,6)25-39(33)31-7-9-34(48)10-8-31/h7-12,14,16,23-24,26,37H,13,15,17-22,25,27-29H2,1-6H3,(H,49,50)(H,52,56)/t37-/m0/s1
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46.5 -10.0n/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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185610
PNG
(US9156856, 20 | US9493431, 20)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H30ClN7O3S/c1-21-19-22(2)39-30(33-21)34-31(35-39)43(41,42)36-29(40)24-9-13-27(14-10-24)38-17-15-37(16-18-38)20-25-5-3-4-6-28(25)23-7-11-26(32)12-8-23/h3-14,19H,15-18,20H2,1-2H3,(H,36,40)
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48.1 -9.98n/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-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254546
PNG
(US9469597, 1 | US9670136, 5 (trans)-N1-((1R,2S)-2-...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254603
PNG
(US9469597, 4 | US9670136, 3 (trans)-N1-((1S,2R)-2-...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254553
PNG
(US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...)
Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254556
PNG
(US9469597, 15 | US9670136, 15 (R)-1-(4-(((trans)-2...)
Show SMILES N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256457
PNG
(US9487512, 1)
Show SMILES C1C(NC2CCNCC2)[C@H]1c1ccccc1
Show InChI InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14?/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256459
PNG
(US9487512, 3)
Show SMILES C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1
Show InChI InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256460
PNG
(US9487512, 4)
Show SMILES C(Oc1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-2-4-16(5-3-1)15-24-19-8-6-17(7-9-19)20-14-21(20)23-18-10-12-22-13-11-18/h1-9,18,20-23H,10-15H2/t20-,21+/m0/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM50142189
PNG
(CHEMBL3759239 | US9487512, 5)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256461
PNG
(US9487512, 6)
Show SMILES C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C16H24N2/c1-2-4-14(5-3-1)15-12-16(15)18-11-8-13-6-9-17-10-7-13/h1-5,13,15-18H,6-12H2/t15-,16+/m1/s1
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50 -10.4n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
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
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
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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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
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50043760
PNG
(2-Amino-4-[1-[(carboxy-phenyl-methyl)-carbamoyl]-2...)
Show SMILES NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26ClN3O6S/c24-16-8-6-14(7-9-16)12-34-13-18(26-19(28)11-10-17(25)22(30)31)21(29)27-20(23(32)33)15-4-2-1-3-5-15/h1-9,17-18,20H,10-13,25H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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PubMed
120n/an/an/an/an/an/an/an/a



Terrapin Technologies

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured on recombinant human Glutathione S-transferase P


J Med Chem 37: 189-94 (1994)


Article DOI: 10.1021/jm00027a024
BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185608
PNG
(US9156856, 18 | US9493431, 18)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C31H27ClN4O3S2/c32-25-13-9-22(10-14-25)27-6-2-1-5-24(27)21-35-17-19-36(20-18-35)26-15-11-23(12-16-26)30(37)34-41(38,39)31-33-28-7-3-4-8-29(28)40-31/h1-16H,17-21H2,(H,34,37)
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129 -9.39n/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))
BDBM185620
PNG
(US9156856, 31 | US9493431, 31)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(o1)-c1ccno1
Show InChI InChI=1S/C31H27ClN4O5S/c32-25-9-5-22(6-10-25)27-4-2-1-3-24(27)21-35-17-19-36(20-18-35)26-11-7-23(8-12-26)31(37)34-42(38,39)30-14-13-28(40-30)29-15-16-33-41-29/h1-16H,17-21H2,(H,34,37)
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139 -9.35n/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))
BDBM185595
PNG
(US9156856, 5 | US9493431, 5)
Show SMILES CC(=O)N(CCSc1ccccc1)C1CCN(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H44ClN5O4S2/c1-30(46)45(27-28-50-37-8-3-2-4-9-37)36-19-21-44(22-20-36)51(48,49)41-39(47)32-13-17-35(18-14-32)43-25-23-42(24-26-43)29-33-7-5-6-10-38(33)31-11-15-34(40)16-12-31/h2-18,36H,19-29H2,1H3,(H,41,47)
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176 -9.21n/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))
BDBM185601
PNG
(US9156856, 11 | US9493431, 11)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-20-29(41-30(32-20)33-21(2)37)42(39,40)34-28(38)23-9-13-26(14-10-23)36-17-15-35(16-18-36)19-24-5-3-4-6-27(24)22-7-11-25(31)12-8-22/h3-14H,15-19H2,1-2H3,(H,34,38)(H,32,33,37)
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US Patent
177 -9.20n/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))
BDBM185611
PNG
(US9156856, 22 | US9493431, 22)
Show SMILES COC(=O)c1ccc(n1C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H31ClN4O5S/c1-34-28(31(38)41-2)15-16-29(34)42(39,40)33-30(37)23-9-13-26(14-10-23)36-19-17-35(18-20-36)21-24-5-3-4-6-27(24)22-7-11-25(32)12-8-22/h3-16H,17-21H2,1-2H3,(H,33,37)
PDB

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US Patent
188 -9.17n/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))
BDBM185609
PNG
(US9156856, 19 | US9493431, 19)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H26ClN3O3S2/c29-24-11-7-21(8-12-24)26-5-2-1-4-23(26)20-31-15-17-32(18-16-31)25-13-9-22(10-14-25)28(33)30-37(34,35)27-6-3-19-36-27/h1-14,19H,15-18,20H2,(H,30,33)
PDB

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US Patent
234 -9.04n/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))
BDBM185619
PNG
(US9156856, 30 | US9493431, 30)
Show SMILES [O-][N+](=O)c1cc(sc1N1CCCCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H34ClN5O5S2/c34-27-12-8-24(9-13-27)29-7-3-2-6-26(29)23-36-18-20-37(21-19-36)28-14-10-25(11-15-28)32(40)35-46(43,44)31-22-30(39(41)42)33(45-31)38-16-4-1-5-17-38/h2-3,6-15,22H,1,4-5,16-21,23H2,(H,35,40)
PDB

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US Patent
269 -8.96n/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))
BDBM185605
PNG
(US9156856, 15 | US9493431, 15)
Show SMILES Cc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H29ClN4O3S2/c1-20-29(38-21(2)31-20)39(36,37)32-28(35)23-9-13-26(14-10-23)34-17-15-33(16-18-34)19-24-5-3-4-6-27(24)22-7-11-25(30)12-8-22/h3-14H,15-19H2,1-2H3,(H,32,35)
PDB

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US Patent
282 -8.93n/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
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

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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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185618
PNG
(US9156856, 29 | US9493431, 29)
Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H29Cl2N5O3S/c1-20-27(28(31)34(2)32-20)40(38,39)33-29(37)22-9-13-25(14-10-22)36-17-15-35(16-18-36)19-23-5-3-4-6-26(23)21-7-11-24(30)12-8-21/h3-14H,15-19H2,1-2H3,(H,33,37)
PDB

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US Patent
340 -8.82n/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))
BDBM185613
PNG
(US9156856, 24 | US9493431, 24)
Show SMILES Cc1nsc(c1Cl)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H26Cl2N4O3S2/c1-19-26(30)28(38-31-19)39(36,37)32-27(35)21-8-12-24(13-9-21)34-16-14-33(15-17-34)18-22-4-2-3-5-25(22)20-6-10-23(29)11-7-20/h2-13H,14-18H2,1H3,(H,32,35)
PDB

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US Patent
342 -8.81n/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))
BDBM185607
PNG
(US9156856, 17 | US9493431, 17)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H29ClFN3O3S2/c1-22-30-20-27(35)12-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-10-26(34)11-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)
PDB

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US Patent
356 -8.79n/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))
BDBM185614
PNG
(US9156856, 25 | US9493431, 25)
Show SMILES Cc1c(sc2ccc(Br)cc12)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H29BrClN3O3S2/c1-22-30-20-26(34)10-15-31(30)42-33(22)43(40,41)36-32(39)24-8-13-28(14-9-24)38-18-16-37(17-19-38)21-25-4-2-3-5-29(25)23-6-11-27(35)12-7-23/h2-15,20H,16-19,21H2,1H3,(H,36,39)
PDB

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US Patent
372 -8.76n/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))
BDBM185603
PNG
(US9156856, 13 | US9493431, 13)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H25Cl2N5O3S2/c30-23-9-5-20(6-10-23)25-4-2-1-3-22(25)19-34-13-15-35(16-14-34)24-11-7-21(8-12-24)27(37)33-41(38,39)28-26(31)32-29-36(28)17-18-40-29/h1-12,17-18H,13-16,19H2,(H,33,37)
PDB

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US Patent
388 -8.74n/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))
BDBM185602
PNG
(US9156856, 12 | US9493431, 12)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
Show InChI InChI=1S/C36H33ClN4O4S2/c37-30-14-10-26(11-15-30)33-9-5-4-8-29(33)25-40-20-22-41(23-21-40)31-16-12-28(13-17-31)36(43)39-47(44,45)34-19-18-32(46-34)24-38-35(42)27-6-2-1-3-7-27/h1-19H,20-25H2,(H,38,42)(H,39,43)
PDB

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US Patent
393 -8.73n/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))
BDBM185615
PNG
(US9156856, 26 | US9493431, 26)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(\C=C\c2ncon2)s1
Show InChI InChI=1S/C32H28ClN5O4S2/c33-26-9-5-23(6-10-26)29-4-2-1-3-25(29)21-37-17-19-38(20-18-37)27-11-7-24(8-12-27)32(39)36-44(40,41)31-16-14-28(43-31)13-15-30-34-22-42-35-30/h1-16,22H,17-21H2,(H,36,39)/b15-13+
PDB

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US Patent
393 -8.73n/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))
BDBM185604
PNG
(US9156856, 14 | US9493431, 14)
Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C28H31ClN4O4S/c29-25-9-5-22(6-10-25)27-4-2-1-3-24(27)21-31-13-15-32(16-14-31)26-11-7-23(8-12-26)28(34)30-38(35,36)33-17-19-37-20-18-33/h1-12H,13-21H2,(H,30,34)
PDB

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US Patent
409 -8.71n/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))
BDBM185617
PNG
(US9156856, 28 | US9493431, 28)
Show SMILES CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C32H35ClN6O4S2/c1-3-26(4-2)34-30(41)31-35-36-32(44-31)45(42,43)37-29(40)23-11-15-27(16-12-23)39-19-17-38(18-20-39)21-24-7-5-6-8-28(24)22-9-13-25(33)14-10-22/h5-16,26H,3-4,17-21H2,1-2H3,(H,34,41)(H,37,40)
PDB

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US Patent
417 -8.70n/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
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