BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 79 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:45|
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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:44|
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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:45|
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

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:45|
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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:40|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |c:57|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:47|
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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:47|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:46|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |c:58|
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

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:47|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:53|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:53|
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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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 |t:53|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Isoform 2 of Lysine-specific histone demethylase 1A (2) [158-876]


(Homo sapiens (Human))		BDBM256461
PNG
(US10329256, Example 6 | US9487512, 6 | US9944601, ...)
Show SMILES C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Isoform 2 of Lysine-specific histone demethylase 1A (2) [158-876]


(Homo sapiens (Human))		BDBM50142189
PNG
(CHEMBL3759239 | US10329256, Example 5 | US9487512,...)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
US Patent
 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
Glutathione S-transferase P/Isoform 2 of Lysine-specific histone demethylase 1A (2) [158-876]


(Homo sapiens (Human))		BDBM256460
PNG
(US9487512, 4)
Show SMILES C(Oc1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1)c1ccccc1 |r|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Isoform 2 of Lysine-specific histone demethylase 1A (2) [158-876]


(Homo sapiens (Human))		BDBM256459
PNG
(US10329256, Example 3 | US9487512, 3 | US9944601, ...)
Show SMILES C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Isoform 2 of Lysine-specific histone demethylase 1A (2) [158-876]


(Homo sapiens (Human))		BDBM256457
PNG
(US9487512, 1)
Show SMILES C1C(NC2CCNCC2)[C@H]1c1ccccc1 |r|
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]


(Homo sapiens (Human))		BDBM254556
PNG
(US10214477, Example 15 | US9469597, 15 | US9670136...)
Show SMILES N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]


(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 |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]


(Homo sapiens (Human))		BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
US Patent
 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]


(Homo sapiens (Human))		BDBM254546
PNG
(US10214477, Example 3 | US9469597, 1 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]


(Homo sapiens (Human))		BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM185594
PNG
(US9156856, 3 | US9493431, 3)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
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
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
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)


BindingDB Entry DOI: 10.7270/Q21V5D1V
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 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
Glutathione S-transferase P


(Homo sapiens (Human))		BDBM50562986
PNG
(CHEMBL4757438)
Show SMILES CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of GSTP1-1 (unknown origin) assessed as inhibition constant using reduced GSH and CDNB as substrate by spectrophotometric m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02048
BindingDB Entry DOI: 10.7270/Q27948D3
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM185625
PNG
(US9156856, 36 | US9493431, 36)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1sc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(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

DrugBank
antibodypedia
antibodypedia
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(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

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Displayed 1 to 50 (of 79 total )  |  Next  |  Last  >>
Jump to: