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Patent code US10213433

Compile Data Set for Download or QSAR

Found 373 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189799
PNG
(US10213433, Compound 373 | US9174982, 373)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(=O)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O8S/c1-44(2)13-11-31(37(26-44)29-3-5-32(45)6-4-29)28-50-15-17-51(18-16-50)33-7-9-36(40(24-33)61-34-23-30-12-14-46-41(30)47-27-34)42(54)49-62(58,59)35-8-10-38(39(25-35)53(56)57)48-43(55)52-19-21-60-22-20-52/h3-10,12,14,23-25,27H,11,13,15-22,26,28H2,1-2H3,(H,46,47)(H,48,55)(H,49,54)
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189804
PNG
(US10213433, Compound 378 | US9174982, 378)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O8S/c1-45(59-2)15-11-38(31-3-5-34(46)6-4-31)33(26-45)29-51-17-19-52(20-18-51)35-7-9-39(42(24-35)61-36-23-32-12-16-47-43(32)49-28-36)44(54)50-62(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-60-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356985
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC[C@H]4CC[C@@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-45(2)14-12-33(39(25-45)31-4-6-34(47)7-5-31)29-53-18-20-54(21-19-53)35-8-9-38(41(23-35)62-36-22-32-13-17-48-42(32)50-27-36)44(56)52-63(60,61)37-24-40(55(58)59)43(51-28-37)49-26-30-10-15-46(3,57)16-11-30/h4-9,13,17,22-24,27-28,30,57H,10-12,14-16,18-21,25-26,29H2,1-3H3,(H,48,50)(H,49,51)(H,52,56)/t30-,46+
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356990
PNG
(4-(4-{[2-(4-chlorophenyl)-5-methoxy-5-methylcycloh...)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H54ClN7O8S/c1-46(57)16-12-31(13-17-46)28-50-41-11-9-38(26-42(41)55(58)59)64(60,61)52-45(56)40-10-8-36(25-43(40)63-37-24-33-15-19-49-44(33)51-29-37)54-22-20-53(21-23-54)30-34-27-47(2,62-3)18-14-39(34)32-4-6-35(48)7-5-32/h4-11,15,19,24-26,29,31,50,57H,12-14,16-18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,46+,47?
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356989
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-45(2)14-12-33(39(25-45)31-4-6-34(47)7-5-31)29-53-18-20-54(21-19-53)35-8-9-38(41(23-35)62-36-22-32-13-17-48-42(32)50-27-36)44(56)52-63(60,61)37-24-40(55(58)59)43(51-28-37)49-26-30-10-15-46(3,57)16-11-30/h4-9,13,17,22-24,27-28,30,57H,10-12,14-16,18-21,25-26,29H2,1-3H3,(H,48,50)(H,49,51)(H,52,56)/t30-,46-
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189800
PNG
(US10213433, Compound 374 | US9174982, 374)
Show SMILES COCC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C48H56ClN7O7S/c1-48(2)18-16-36(42(27-48)34-8-10-37(49)11-9-34)30-54-20-22-55(23-21-54)38-12-14-41(45(25-38)63-39-24-35-17-19-50-46(35)52-29-39)47(57)53-64(60,61)40-13-15-43(44(26-40)56(58)59)51-28-32-4-6-33(7-5-32)31-62-3/h8-15,17,19,24-26,29,32-33,51H,4-7,16,18,20-23,27-28,30-31H2,1-3H3,(H,50,52)(H,53,57)
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US Patent
<0.00100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189567
PNG
(US10213433, Compound 129 | US9174982, 129)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H54ClF2N7O7S/c1-48(2)15-11-35(42(26-48)33-3-5-36(49)6-4-33)30-55-19-21-57(22-20-55)37-7-9-41(45(24-37)65-39-23-34-12-16-52-46(34)53-29-39)47(59)54-66(62,63)40-8-10-44(43(25-40)58(60)61)64-31-32-13-17-56(18-14-32)38(27-50)28-51/h3-10,12,16,23-25,29,32,38H,11,13-15,17-22,26-28,30-31H2,1-2H3,(H,52,53)(H,54,59)
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US Patent
0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189458
PNG
(US10213433, Compound 4 | US9174982, 4)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-12-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-8-10-38(42(25-35)60-36-24-31-13-17-47-43(31)48-28-36)44(55)50-61(58,59)37-9-11-40(41(26-37)54(56)57)49-34-14-18-51(3)19-15-34/h4-11,13,17,24-26,28,34,49H,12,14-16,18-23,27,29H2,1-3H3,(H,47,48)(H,50,55)
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189464
PNG
(US10213433, Compound 10 | US9174982, 10)
Show SMILES COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H46ClN7O7S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-48-17-19-49(20-18-48)32-8-10-35(39(23-32)57-33-22-29-13-15-45-40(29)46-26-33)41(51)47-58(54,55)34-9-11-37(44-16-21-56-3)38(24-34)50(52)53/h4-11,13,15,22-24,26,44H,12,14,16-21,25,27H2,1-3H3,(H,45,46)(H,47,51)
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189543
PNG
(US10213433, Compound 105 | US9174982, 105)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CCCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)17-13-35(43(29-49)33-5-7-36(50)8-6-33)31-55-20-22-56(23-21-55)39-9-11-42(46(27-39)65-40-26-34-14-18-51-47(34)52-30-40)48(59)54-66(62,63)41-10-12-44(45(28-41)58(60)61)53-37-4-3-19-57(32-37)38-15-24-64-25-16-38/h5-12,14,18,26-28,30,37-38,53H,3-4,13,15-17,19-25,29,31-32H2,1-2H3,(H,51,52)(H,54,59)/t37-/m0/s1
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189552
PNG
(US10213433, Compound 114 | US9174982, 114)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN7O7S/c1-44(2)14-11-32(38(24-44)30-3-5-33(45)6-4-30)27-50-16-18-51(19-17-50)34-7-9-37(41(22-34)59-35-21-31-12-15-46-42(31)48-26-35)43(53)49-60(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-13-20-58-28-29/h3-10,12,15,21-23,26,29,47H,11,13-14,16-20,24-25,27-28H2,1-2H3,(H,46,48)(H,49,53)
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189554
PNG
(US10213433, Compound 116 | US9174982, 116)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-11-33(41(26-47)31-3-5-34(48)6-4-31)28-53-17-19-54(20-18-53)37-7-9-40(44(24-37)63-38-23-32-12-16-49-45(32)50-27-38)46(57)52-64(60,61)39-8-10-42(43(25-39)56(58)59)51-35-29-55(30-35)36-13-21-62-22-14-36/h3-10,12,16,23-25,27,35-36,51H,11,13-15,17-22,26,28-30H2,1-2H3,(H,49,50)(H,52,57)
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189556
PNG
(US10213433, Compound 118 | US9174982, 118)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)16-11-36(43(28-49)34-3-5-37(50)6-4-34)32-55-19-21-56(22-20-55)39-7-9-42(46(26-39)65-40-25-35-12-17-51-47(35)53-30-40)48(59)54-66(62,63)41-8-10-44(45(27-41)58(60)61)52-29-33-13-18-57(31-33)38-14-23-64-24-15-38/h3-10,12,17,25-27,30,33,38,52H,11,13-16,18-24,28-29,31-32H2,1-2H3,(H,51,53)(H,54,59)/t33-/m1/s1
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189557
PNG
(US10213433, Compound 119 | US9174982, 119)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-44(2)13-11-37(30-3-5-33(46)6-4-30)32(26-44)28-51-17-19-52(20-18-51)34-7-9-38(41(24-34)61-35-23-31-12-16-48-42(31)49-27-35)43(54)50-62(57,58)36-8-10-40(39(25-36)53(55)56)60-29-45(47)14-21-59-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,48,49)(H,50,54)
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356742
PNG
(US10213433, Compound 124 | trans-N-({5-bromo-6-[(4...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c(Br)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55BrClN7O6S/c1-48(2)15-13-34(42(28-48)32-3-5-35(50)6-4-32)31-55-17-19-56(20-18-55)37-9-12-41(44(26-37)62-39-25-33-14-16-51-45(33)52-29-39)46(58)54-64(59,60)40-27-43(49)47(53-30-40)63-38-10-7-36(8-11-38)57-21-23-61-24-22-57/h3-6,9,12,14,16,25-27,29-30,36,38H,7-8,10-11,13,15,17-24,28,31H2,1-2H3,(H,51,52)(H,54,58)/t36-,38-
PDB

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PC cid
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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189565
PNG
(US10213433, Compound 127 | US9174982, 127)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCNCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClFN7O7S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-19-21-53(22-20-52)34-7-9-37(41(24-34)61-35-23-31-12-16-49-42(31)50-27-35)43(55)51-62(58,59)36-8-10-40(39(25-36)54(56)57)60-29-45(47)14-17-48-18-15-45/h3-10,12,16,23-25,27,48H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,50)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189587
PNG
(US10213433, Compound 149 | US9174982, 149)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49ClN8O8S2/c1-44(2)15-12-31(38(25-44)29-4-6-32(45)7-5-29)27-50-18-20-51(21-19-50)34-8-10-37(41(23-34)61-35-22-30-13-16-46-42(30)47-26-35)43(54)49-63(59,60)36-9-11-39(40(24-36)53(55)56)48-33-14-17-52(28-33)62(3,57)58/h4-11,13,16,22-24,26,33,48H,12,14-15,17-21,25,27-28H2,1-3H3,(H,46,47)(H,49,54)/t33-/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189601
PNG
(US10213433, Compound 163 | US9174982, 163)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-11-35(42(26-48)33-3-5-36(49)6-4-33)29-54-19-21-56(22-20-54)37-7-9-41(45(24-37)64-39-23-34-12-16-50-46(34)52-28-39)47(58)53-65(61,62)40-8-10-43(44(25-40)57(59)60)51-27-32-13-17-55(18-14-32)38-30-63-31-38/h3-10,12,16,23-25,28,32,38,51H,11,13-15,17-22,26-27,29-31H2,1-2H3,(H,50,52)(H,53,58)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356785
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClFN7O8S/c1-47(2)13-11-34(41(26-47)32-3-5-35(49)6-4-32)28-54-19-21-56(22-20-54)36-7-9-40(44(24-36)65-38-23-33-12-16-51-45(33)52-27-38)46(58)53-66(61,62)39-8-10-43(42(25-39)57(59)60)64-31-48(50)14-17-55(18-15-48)37-29-63-30-37/h3-10,12,16,23-25,27,37H,11,13-15,17-22,26,28-31H2,1-2H3,(H,51,52)(H,53,58)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189635
PNG
(US10213433, Compound 198 | US9174982, 198 | US9174...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCc4ccc(OCCN5CCOCC5)cc4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H57ClN8O8S/c1-52(2)17-15-39(46(32-52)37-5-7-40(53)8-6-37)35-59-19-21-60(22-20-59)41-9-13-45(49(30-41)69-43-29-38-16-18-54-50(38)56-34-43)51(62)57-70(65,66)44-12-14-47(48(31-44)61(63)64)55-33-36-3-10-42(11-4-36)68-28-25-58-23-26-67-27-24-58/h3-14,16,18,29-31,34,55H,15,17,19-28,32-33,35H2,1-2H3,(H,54,56)(H,57,62)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356842
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClN8O7S/c1-46(2)14-11-32(40(24-46)30-3-5-33(47)6-4-30)26-52-17-19-53(20-18-52)35-7-9-39(43(22-35)62-37-21-31-12-15-48-44(31)49-25-37)45(56)51-63(59,60)38-8-10-41(42(23-38)55(57)58)50-34-13-16-54(27-34)36-28-61-29-36/h3-10,12,15,21-23,25,34,36,50H,11,13-14,16-20,24,26-29H2,1-2H3,(H,48,49)(H,51,56)/t34-/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189659
PNG
(US10213433, Compound 227 | US9174982, 227)
Show SMILES CC(C)(C)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H57ClN8O6S/c1-47(2,3)56-20-16-36(17-21-56)52-42-13-11-39(28-43(42)57(59)60)64(61,62)53-46(58)40-12-10-37(27-44(40)63-38-26-33-15-19-50-45(33)51-30-38)55-24-22-54(23-25-55)31-34-14-18-48(4,5)29-41(34)32-6-8-35(49)9-7-32/h6-13,15,19,26-28,30,36,52H,14,16-18,20-25,29,31H2,1-5H3,(H,50,51)(H,53,58)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189682
PNG
(US10213433, Compound 252 | US9174982, 252)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClF2N8O7S/c1-47(2)13-11-33(41(24-47)31-3-5-34(48)6-4-31)29-55-15-17-56(18-16-55)35-7-9-40(44(22-35)65-37-21-32-12-14-51-45(32)53-27-37)46(59)54-66(62,63)39-8-10-42(43(23-39)58(60)61)52-28-38-30-57(19-20-64-38)36(25-49)26-50/h3-10,12,14,21-23,27,36,38,52H,11,13,15-20,24-26,28-30H2,1-2H3,(H,51,53)(H,54,59)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189696
PNG
(US10213433, Compound 266 | US9174982, 266)
Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c1)C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H59ClN8O7S/c1-34(2)57-19-16-50(17-20-57)15-11-43(36-3-5-39(51)6-4-36)38(30-50)33-56-21-23-58(24-22-56)40-7-9-44(47(28-40)66-41-27-37-12-18-52-48(37)54-32-41)49(60)55-67(63,64)42-8-10-45(46(29-42)59(61)62)53-31-35-13-25-65-26-14-35/h3-10,12,18,27-29,32,34-35,53H,11,13-17,19-26,30-31,33H2,1-2H3,(H,52,54)(H,55,60)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189698
PNG
(US10213433, Compound 268 | US9174982, 268)
Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c1)C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57Cl2N7O6S/c1-33(2)57-17-14-49(15-18-57)13-9-42(35-3-5-38(50)6-4-35)37(28-49)31-56-19-21-58(22-20-56)39-7-8-43(45(26-39)64-40-25-36-10-16-52-46(36)53-29-40)47(59)55-65(60,61)41-27-44(51)48(54-30-41)63-32-34-11-23-62-24-12-34/h3-8,10,16,25-27,29-30,33-34H,9,11-15,17-24,28,31-32H2,1-2H3,(H,52,53)(H,55,59)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189721
PNG
(US10213433, Compound 291 | US9174982, 291)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCNC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-14-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-10-12-38(42(25-35)60-36-24-31-15-19-49-43(31)50-28-36)44(55)51-61(58,59)37-11-13-40(41(26-37)54(56)57)48-18-3-17-47-34-8-9-34/h4-7,10-13,15,19,24-26,28,34,47-48H,3,8-9,14,16-18,20-23,27,29H2,1-2H3,(H,49,50)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189751
PNG
(US10213433, Compound 321 | US9174982, 321)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(F)(F)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H44ClF2N7O7S/c44-32-3-1-29(2-4-32)36-9-13-43(45,46)24-31(36)27-51-15-17-52(18-16-51)33-5-7-37(40(22-33)60-34-21-30-10-14-47-41(30)49-26-34)42(54)50-61(57,58)35-6-8-38(39(23-35)53(55)56)48-25-28-11-19-59-20-12-28/h1-8,10,14,21-23,26,28,48H,9,11-13,15-20,24-25,27H2,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189781
PNG
(US10213433, Compound 353 | US9174982, 353)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(CF)(CF)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClF2N7O7S/c46-34-3-1-31(2-4-34)38-9-13-45(28-47,29-48)24-33(38)27-53-15-17-54(18-16-53)35-5-7-39(42(22-35)62-36-21-32-10-14-49-43(32)51-26-36)44(56)52-63(59,60)37-6-8-40(41(23-37)55(57)58)50-25-30-11-19-61-20-12-30/h1-8,10,14,21-23,26,30,50H,9,11-13,15-20,24-25,27-29H2,(H,49,51)(H,52,56)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189782
PNG
(US10213433, Compound 354 | US9174982, 354)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClN7O8S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)28-52-17-19-53(20-18-52)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)50-27-37)46(56)51-64(59,60)39-10-12-43(42(25-39)55(57)58)62-30-38-29-54(21-22-61-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,50)(H,51,56)
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0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189787
PNG
(US10213433, Compound 360 | US9174982, 360)
Show SMILES COCC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(30-60-2)15-11-39(32-3-5-35(47)6-4-32)34(26-46)29-52-17-19-53(20-18-52)36-7-9-40(43(24-36)62-37-23-33-12-16-48-44(33)50-28-37)45(55)51-63(58,59)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-61-22-14-31/h3-10,12,16,23-25,28,31,49H,11,13-15,17-22,26-27,29-30H2,1-2H3,(H,48,50)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189472
PNG
(US10213433, Compound 24 | US9174982, 24)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClN6O8S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)28-50-17-19-51(20-18-50)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)48-27-36)44(53)49-61(56,57)37-8-10-41(40(25-37)52(54)55)59-29-30-13-21-58-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,47,48)(H,49,53)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189473
PNG
(US10213433, Compound 25 | US9174982, 25)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)27-50-15-17-51(18-16-50)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)48-25-34)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-26-35-28-58-19-20-59-35/h3-10,12,14,21-23,25,35,47H,11,13,15-20,24,26-28H2,1-2H3,(H,46,48)(H,49,53)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189476
PNG
(US10213433, Compound 28 | US9174982, 28)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189551
PNG
(US10213433, Compound 113 | US9174982, 113)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CNCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49ClN8O7S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)28-51-16-18-52(19-17-51)33-7-9-37(41(22-33)60-34-21-30-12-14-47-42(30)49-26-34)43(54)50-61(57,58)36-8-10-39(40(23-36)53(55)56)48-27-35-25-46-15-20-59-35/h3-10,12,14,21-23,26,35,46,48H,11,13,15-20,24-25,27-28H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356733
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)[C@@H]4CCOC[C@@H]4F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H56ClFN8O7S/c1-49(2)16-11-34(41(28-49)32-3-5-35(50)6-4-32)30-56-20-22-57(23-21-56)37-7-9-40(46(26-37)66-38-25-33-12-17-52-47(33)53-29-38)48(60)55-67(63,64)39-8-10-43(45(27-39)59(61)62)54-36-13-18-58(19-14-36)44-15-24-65-31-42(44)51/h3-10,12,17,25-27,29,36,42,44,54H,11,13-16,18-24,28,30-31H2,1-2H3,(H,52,53)(H,55,60)/t42-,44+/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189559
PNG
(US10213433, Compound 121 | US9174982, 121)
Show SMILES CO[C@@H]1CC[C@H](COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H53ClN6O8S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)29-52-20-22-53(23-21-52)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)50-28-38)46(55)51-63(58,59)39-13-15-43(42(26-39)54(56)57)61-30-31-4-11-37(60-3)12-5-31/h6-10,13-15,17,19,24-26,28,31,37H,4-5,11-12,16,18,20-23,27,29-30H2,1-3H3,(H,49,50)(H,51,55)/t31-,37+
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356746
PNG
(US10213433, Compound 128 | trans-4-(4-{[2-(4-chlor...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CC[C@@H](CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C54H66ClN9O7S/c1-54(2)19-15-39(48(34-54)37-3-5-40(55)6-4-37)36-60-21-23-63(24-22-60)44-11-13-47(51(32-44)71-45-31-38-16-20-56-52(38)57-35-45)53(65)59-72(68,69)46-12-14-49(50(33-46)64(66)67)58-41-7-9-42(10-8-41)61-25-27-62(28-26-61)43-17-29-70-30-18-43/h3-6,11-14,16,20,31-33,35,41-43,58H,7-10,15,17-19,21-30,34,36H2,1-2H3,(H,56,57)(H,59,65)/t41-,42-
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189568
PNG
(US10213433, Compound 130 | US9174982, 130)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)16-11-34(42(28-48)32-3-5-35(49)6-4-32)30-54-19-21-55(22-20-54)38-7-9-41(45(26-38)64-39-25-33-12-17-50-46(33)51-29-39)47(58)53-65(61,62)40-8-10-43(44(27-40)57(59)60)52-36-13-18-56(31-36)37-14-23-63-24-15-37/h3-10,12,17,25-27,29,36-37,52H,11,13-16,18-24,28,30-31H2,1-2H3,(H,50,51)(H,53,58)/t36-/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189571
PNG
(US10213433, Compound 133 | US9174982, 133)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CCN(C4)C4CCOC(C)(C)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H59ClN8O7S/c1-49(2)17-13-35(43(29-49)33-5-7-36(51)8-6-33)31-56-20-22-57(23-21-56)38-9-11-42(46(26-38)66-40-25-34-14-18-52-47(34)53-30-40)48(60)55-67(63,64)41-10-12-44(45(27-41)59(61)62)54-37-15-19-58(32-37)39-16-24-65-50(3,4)28-39/h5-12,14,18,25-27,30,37,39,54H,13,15-17,19-24,28-29,31-32H2,1-4H3,(H,52,53)(H,55,60)/t37-,39?/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189595
PNG
(US10213433, Compound 157 | US9174982, 157 | US9174...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@H](O)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-13-32(39(25-45)30-4-6-33(46)7-5-30)28-51-17-19-52(20-18-51)34-8-11-38(42(23-34)60-36-22-31-14-16-47-43(31)49-27-36)44(55)50-61(58,59)37-10-12-40(41(24-37)53(56)57)48-26-29-3-9-35(54)21-29/h4-8,10-12,14,16,22-24,27,29,35,48,54H,3,9,13,15,17-21,25-26,28H2,1-2H3,(H,47,49)(H,50,55)/t29-,35-/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356797
PNG
(US10213433, Compound 179 | trans-N-[(4-{[4-(acetyl...)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H53ClN8O7S/c1-30(57)51-35-8-10-36(11-9-35)52-42-15-13-39(26-43(42)56(59)60)64(61,62)53-46(58)40-14-12-37(25-44(40)63-38-24-32-17-19-49-45(32)50-28-38)55-22-20-54(21-23-55)29-33-16-18-47(2,3)27-41(33)31-4-6-34(48)7-5-31/h4-7,12-15,17,19,24-26,28,35-36,52H,8-11,16,18,20-23,27,29H2,1-3H3,(H,49,50)(H,51,57)(H,53,58)/t35-,36-
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189629
PNG
(US10213433, Compound 192 | US9174982, 192)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClFN7O8S/c1-49(2)15-11-36(43(30-49)34-3-5-37(51)6-4-34)32-56-21-23-58(24-22-56)39-7-9-42(46(28-39)67-40-27-35-12-18-53-47(35)54-31-40)48(60)55-68(63,64)41-8-10-45(44(29-41)59(61)62)66-33-50(52)16-19-57(20-17-50)38-13-25-65-26-14-38/h3-10,12,18,27-29,31,38H,11,13-17,19-26,30,32-33H2,1-2H3,(H,53,54)(H,55,60)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356821
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4C[C@@H]5C[C@H]4[C@H](O)[C@@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClN6O9S/c1-47(2)13-11-30(39(24-47)28-3-5-33(48)6-4-28)26-52-15-17-53(18-16-52)34-7-9-37(42(22-34)63-35-20-29-12-14-49-45(29)50-25-35)46(57)51-64(60,61)36-8-10-41(40(23-36)54(58)59)62-27-32-19-31-21-38(32)44(56)43(31)55/h3-10,12,14,20,22-23,25,31-32,38,43-44,55-56H,11,13,15-19,21,24,26-27H2,1-2H3,(H,49,50)(H,51,57)/t31-,32?,38-,43-,44+/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189671
PNG
(US10213433, Compound 240 | US9174982, 240)
Show SMILES CC(C)(C)N1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C49H57ClF3N7O6S2/c1-47(2,3)60-20-16-36(17-21-60)56-42-13-11-39(28-44(42)67(62,63)49(51,52)53)68(64,65)57-46(61)40-12-10-37(27-43(40)66-38-26-33-15-19-54-45(33)55-30-38)59-24-22-58(23-25-59)31-34-14-18-48(4,5)29-41(34)32-6-8-35(50)9-7-32/h6-13,15,19,26-28,30,36,56H,14,16-18,20-25,29,31H2,1-5H3,(H,54,55)(H,57,61)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189700
PNG
(US10213433, Compound 270 | US9174982, 270)
Show SMILES CN(C)CC(=O)N1CCC(F)(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C48H55Cl2FN8O6S/c1-47(2)13-11-34(40(26-47)32-5-7-35(49)8-6-32)29-57-19-21-58(22-20-57)36-9-10-39(42(24-36)65-37-23-33-12-16-52-44(33)53-27-37)45(61)55-66(62,63)38-25-41(50)46(54-28-38)64-31-48(51)14-17-59(18-15-48)43(60)30-56(3)4/h5-10,12,16,23-25,27-28H,11,13-15,17-22,26,29-31H2,1-4H3,(H,52,53)(H,55,61)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189748
PNG
(US10213433, Compound 318 | US9174982, 318)
Show SMILES CCN(C)C(=O)N1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1
Show InChI InChI=1S/C48H56ClN9O8S/c1-5-54(4)47(60)57-22-23-65-38(31-57)29-51-42-13-11-39(26-43(42)58(61)62)67(63,64)53-46(59)40-12-10-36(25-44(40)66-37-24-33-15-17-50-45(33)52-28-37)56-20-18-55(19-21-56)30-34-14-16-48(2,3)27-41(34)32-6-8-35(49)9-7-32/h6-13,15,17,24-26,28,38,51H,5,14,16,18-23,27,29-31H2,1-4H3,(H,50,52)(H,53,59)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189752
PNG
(US10213433, Compound 322 | US9174982, 322)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4COC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53Cl2FN6O6S/c1-47(2)13-11-34(41(26-47)32-3-5-35(49)6-4-32)28-55-19-21-57(22-20-55)36-7-9-40(44(24-36)63-38-23-33-12-16-52-45(33)53-27-38)46(58)54-64(59,60)39-8-10-43(42(50)25-39)62-31-48(51)14-17-56(18-15-48)37-29-61-30-37/h3-10,12,16,23-25,27,37H,11,13-15,17-22,26,28-31H2,1-2H3,(H,52,53)(H,54,58)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189754
PNG
(US10213433, Compound 324 | US9174982, 324)
Show SMILES O[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CCC(F)(F)C3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C44H46ClF2N7O7S/c45-32-5-3-29(4-6-32)37-13-15-44(46,47)24-31(37)27-52-17-19-53(20-18-52)33-7-11-38(41(22-33)61-35-21-30-14-16-48-42(30)50-26-35)43(56)51-62(59,60)36-10-12-39(40(23-36)54(57)58)49-25-28-1-8-34(55)9-2-28/h3-7,10-12,14,16,21-23,26,28,34,49,55H,1-2,8-9,13,15,17-20,24-25,27H2,(H,48,50)(H,51,56)/t28-,34-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189758
PNG
(US10213433, Compound 328 | US9174982, 328)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O7S/c46-34-3-1-31(2-4-34)39-26-45(14-15-45)13-9-33(39)29-51-17-19-52(20-18-51)35-5-7-38(42(24-35)60-36-23-32-10-16-47-43(32)49-28-36)44(54)50-61(57,58)37-6-8-40(41(25-37)53(55)56)48-27-30-11-21-59-22-12-30/h1-8,10,16,23-25,28,30,48H,9,11-15,17-22,26-27,29H2,(H,47,49)(H,50,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%