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Patent code US10221174

Compile Data Set for Download or QSAR
Found 46 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))
BDBM361573
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-34-3-1-31(2-4-34)39-24-45(28-60-29-45)13-9-33(39)27-51-15-17-52(18-16-51)35-5-7-38(42(22-35)61-36-21-32-10-14-47-43(32)49-26-36)44(54)50-62(57,58)37-6-8-40(41(23-37)53(55)56)48-25-30-11-19-59-20-12-30/h1-8,10,14,21-23,26,30,48H,9,11-13,15-20,24-25,27-29H2,(H,47,49)(H,50,54)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361574
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H50ClN7O7S/c47-35-4-2-32(3-5-35)40-27-46(14-1-15-46)16-10-34(40)30-52-18-20-53(21-19-52)36-6-8-39(43(25-36)61-37-24-33-11-17-48-44(33)50-29-37)45(55)51-62(58,59)38-7-9-41(42(26-38)54(56)57)49-28-31-12-22-60-23-13-31/h2-9,11,17,24-26,29,31,49H,1,10,12-16,18-23,27-28,30H2,(H,48,50)(H,51,55)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361590
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(CC3CCOCC3)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)29-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)30-55(51-42)28-31-10-20-62-21-11-31/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361584
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361572
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN6O8S/c47-35-5-2-31(3-6-35)40-25-46(14-1-15-46)16-10-34(40)28-52-18-12-30(13-19-52)32-4-8-39(43(23-32)61-36-22-33-11-17-48-44(33)50-26-36)45(54)51-62(57,58)38-7-9-41(42(24-38)53(55)56)49-27-37-29-59-20-21-60-37/h2-9,11-12,17,22-24,26,37,49H,1,10,13-16,18-21,25,27-29H2,(H,48,50)(H,51,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361592
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(cc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)28-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)29-54(50-41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27,29,34H,1,8,10-14,16-21,26,28H2,(H,48,49)(H,51,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361589
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(CC3CCOCC3)ncc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)30-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)28-51-55(42)29-31-10-20-62-21-11-31/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361580
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN6O8S/c47-36-4-1-32(2-5-36)40-24-46(28-60-29-46)15-9-35(40)27-52-17-11-31(12-18-52)33-3-7-39(43(22-33)61-37-21-34-10-16-48-44(34)50-26-37)45(54)51-62(57,58)38-6-8-41(42(23-38)53(55)56)49-25-30-13-19-59-20-14-30/h1-8,10-11,16,21-23,26,30,49H,9,12-15,17-20,24-25,27-29H2,(H,48,50)(H,51,54)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361577
PNG
((S)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361587
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cnn(CC3CCOCC3)c12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)30-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-28-38)46(57)52-64(60,61)39-23-35-27-51-55(29-31-10-20-62-21-11-31)44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361576
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H45ClN6O9S/c46-34-4-1-30(2-5-34)39-22-45(27-59-28-45)13-9-33(39)25-51-15-11-29(12-16-51)31-3-7-38(42(20-31)61-35-19-32-10-14-47-43(32)49-23-35)44(53)50-62(56,57)37-6-8-40(41(21-37)52(54)55)48-24-36-26-58-17-18-60-36/h1-8,10-11,14,19-21,23,36,48H,9,12-13,15-18,22,24-28H2,(H,47,49)(H,50,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361588
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cn(CC3CCOCC3)nc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)29-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-27-38)46(57)52-64(60,61)39-23-35-30-55(28-31-10-20-62-21-11-31)51-44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361579
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H46ClN7O9S/c45-32-3-1-29(2-4-32)38-22-44(27-59-28-44)11-9-31(38)25-50-13-15-51(16-14-50)33-5-7-37(41(20-33)61-34-19-30-10-12-46-42(30)48-23-34)43(53)49-62(56,57)36-6-8-39(40(21-36)52(54)55)47-24-35-26-58-17-18-60-35/h1-8,10,12,19-21,23,35,47H,9,11,13-18,22,24-28H2,(H,46,48)(H,49,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361591
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(ncc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)29-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)28-50-54(41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27-28,34H,1,8,10-14,16-21,26,29H2,(H,48,49)(H,51,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361578
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11-12,19,24-26,29,31,50H,1,10,13-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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n/an/a 2.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361593
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)-c1ccncc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H42ClN9O6S/c47-33-4-2-29(3-5-33)38-26-46(12-1-13-46)14-8-32(38)28-54-18-20-55(21-19-54)34-6-7-37(41(23-34)62-35-22-31-11-17-49-43(31)50-27-35)45(57)53-63(60,61)36-24-39-42(40(25-36)56(58)59)52-44(51-39)30-9-15-48-16-10-30/h2-7,9-11,15-17,22-25,27H,1,8,12-14,18-21,26,28H2,(H,49,50)(H,51,52)(H,53,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361575
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C40H39ClN6O6S/c41-30-7-5-27(6-8-30)36-24-40(13-2-14-40)15-11-29(36)26-45-17-19-46(20-18-45)31-9-10-35(37(23-31)53-33-21-28-12-16-42-38(28)43-25-33)39(48)44-54(51,52)34-4-1-3-32(22-34)47(49)50/h1,3-10,12,16,21-23,25H,2,11,13-15,17-20,24,26H2,(H,42,43)(H,44,48)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361581
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClN7O6S/c1-43-36-10-8-33(23-37(36)49(51)52)56(53,54)46-40(50)34-9-7-31(22-38(34)55-32-21-28-12-16-44-39(28)45-25-32)48-19-17-47(18-20-48)26-29-11-15-41(13-2-14-41)24-35(29)27-3-5-30(42)6-4-27/h3-10,12,16,21-23,25,43H,2,11,13-15,17-20,24,26H2,1H3,(H,44,45)(H,46,50)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361585
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES CC(C)c1nc2cc(cc([N+]([O-])=O)c2[nH]1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H45ClN8O6S/c1-27(2)41-48-37-22-34(23-38(53(55)56)40(37)49-41)60(57,58)50-43(54)35-9-8-32(21-39(35)59-33-20-29-11-15-46-42(29)47-25-33)52-18-16-51(17-19-52)26-30-10-14-44(12-3-13-44)24-36(30)28-4-6-31(45)7-5-28/h4-9,11,15,20-23,25,27H,3,10,12-14,16-19,24,26H2,1-2H3,(H,46,47)(H,48,49)(H,50,54)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361589
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(CC3CCOCC3)ncc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)30-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)28-51-55(42)29-31-10-20-62-21-11-31/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

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US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361583
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H51ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11,19,24-26,29,31-32,50H,1,10,12-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361586
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H43ClN8O6S/c45-31-6-4-27(5-7-31)36-24-44(12-1-13-44)14-10-30(36)26-51-16-18-52(19-17-51)32-8-9-35(39(21-32)59-33-20-29-11-15-46-41(29)47-25-33)43(54)50-60(57,58)34-22-37-40(38(23-34)53(55)56)49-42(48-37)28-2-3-28/h4-9,11,15,20-23,25,28H,1-3,10,12-14,16-19,24,26H2,(H,46,47)(H,48,49)(H,50,54)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361577
PNG
((S)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361579
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H46ClN7O9S/c45-32-3-1-29(2-4-32)38-22-44(27-59-28-44)11-9-31(38)25-50-13-15-51(16-14-50)33-5-7-37(41(20-33)61-34-19-30-10-12-46-42(30)48-23-34)43(53)49-62(56,57)36-6-8-39(40(21-36)52(54)55)47-24-35-26-58-17-18-60-35/h1-8,10,12,19-21,23,35,47H,9,11,13-18,22,24-28H2,(H,46,48)(H,49,53)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361590
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(CC3CCOCC3)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)29-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)30-55(51-42)28-31-10-20-62-21-11-31/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361575
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C40H39ClN6O6S/c41-30-7-5-27(6-8-30)36-24-40(13-2-14-40)15-11-29(36)26-45-17-19-46(20-18-45)31-9-10-35(37(23-31)53-33-21-28-12-16-42-38(28)43-25-33)39(48)44-54(51,52)34-4-1-3-32(22-34)47(49)50/h1,3-10,12,16,21-23,25H,2,11,13-15,17-20,24,26H2,(H,42,43)(H,44,48)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361591
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(ncc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)29-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)28-50-54(41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27-28,34H,1,8,10-14,16-21,26,29H2,(H,48,49)(H,51,56)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361572
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN6O8S/c47-35-5-2-31(3-6-35)40-25-46(14-1-15-46)16-10-34(40)28-52-18-12-30(13-19-52)32-4-8-39(43(23-32)61-36-22-33-11-17-48-44(33)50-26-36)45(54)51-62(57,58)38-7-9-41(42(24-38)53(55)56)49-27-37-29-59-20-21-60-37/h2-9,11-12,17,22-24,26,37,49H,1,10,13-16,18-21,25,27-29H2,(H,48,50)(H,51,54)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

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US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361592
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(cc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)28-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)29-54(50-41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27,29,34H,1,8,10-14,16-21,26,28H2,(H,48,49)(H,51,56)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

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US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361573
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-34-3-1-31(2-4-34)39-24-45(28-60-29-45)13-9-33(39)27-51-15-17-52(18-16-51)35-5-7-38(42(22-35)61-36-21-32-10-14-47-43(32)49-26-36)44(54)50-62(57,58)37-6-8-40(41(23-37)53(55)56)48-25-30-11-19-59-20-12-30/h1-8,10,14,21-23,26,30,48H,9,11-13,15-20,24-25,27-29H2,(H,47,49)(H,50,54)
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n/an/a 10.6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

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


(Homo sapiens (Human))
BDBM361582
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H44ClN7O6S/c1-47(2)37-11-9-34(24-38(37)50(52)53)57(54,55)46-41(51)35-10-8-32(23-39(35)56-33-22-29-13-17-44-40(29)45-26-33)49-20-18-48(19-21-49)27-30-12-16-42(14-3-15-42)25-36(30)28-4-6-31(43)7-5-28/h4-11,13,17,22-24,26H,3,12,14-16,18-21,25,27H2,1-2H3,(H,44,45)(H,46,51)
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n/an/a 11.9n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361593
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)-c1ccncc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H42ClN9O6S/c47-33-4-2-29(3-5-33)38-26-46(12-1-13-46)14-8-32(38)28-54-18-20-55(21-19-54)34-6-7-37(41(23-34)62-35-22-31-11-17-49-43(31)50-27-35)45(57)53-63(60,61)36-24-39-42(40(25-36)56(58)59)52-44(51-39)30-9-15-48-16-10-30/h2-7,9-11,15-17,22-25,27H,1,8,12-14,18-21,26,28H2,(H,49,50)(H,51,52)(H,53,57)
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n/an/a 12n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361588
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cn(CC3CCOCC3)nc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)29-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-27-38)46(57)52-64(60,61)39-23-35-30-55(28-31-10-20-62-21-11-31)51-44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
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n/an/a 13.1n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361574
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H50ClN7O7S/c47-35-4-2-32(3-5-35)40-27-46(14-1-15-46)16-10-34(40)30-52-18-20-53(21-19-52)36-6-8-39(43(25-36)61-37-24-33-11-17-48-44(33)50-29-37)45(55)51-62(58,59)38-7-9-41(42(26-38)54(56)57)49-28-31-12-22-60-23-13-31/h2-9,11,17,24-26,29,31,49H,1,10,12-16,18-23,27-28,30H2,(H,48,50)(H,51,55)
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n/an/a 13.7n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361581
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClN7O6S/c1-43-36-10-8-33(23-37(36)49(51)52)56(53,54)46-40(50)34-9-7-31(22-38(34)55-32-21-28-12-16-44-39(28)45-25-32)48-19-17-47(18-20-48)26-29-11-15-41(13-2-14-41)24-35(29)27-3-5-30(42)6-4-27/h3-10,12,16,21-23,25,43H,2,11,13-15,17-20,24,26H2,1H3,(H,44,45)(H,46,50)
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n/an/a 14n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361576
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H45ClN6O9S/c46-34-4-1-30(2-5-34)39-22-45(27-59-28-45)13-9-33(39)25-51-15-11-29(12-16-51)31-3-7-38(42(20-31)61-35-19-32-10-14-47-43(32)49-23-35)44(53)50-62(56,57)37-6-8-40(41(21-37)52(54)55)48-24-36-26-58-17-18-60-36/h1-8,10-11,14,19-21,23,36,48H,9,12-13,15-18,22,24-28H2,(H,47,49)(H,50,53)
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n/an/a 14n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361584
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)
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n/an/a 14.8n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361578
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11-12,19,24-26,29,31,50H,1,10,13-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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n/an/a 15.7n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361585
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES CC(C)c1nc2cc(cc([N+]([O-])=O)c2[nH]1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H45ClN8O6S/c1-27(2)41-48-37-22-34(23-38(53(55)56)40(37)49-41)60(57,58)50-43(54)35-9-8-32(21-39(35)59-33-20-29-11-15-46-42(29)47-25-33)52-18-16-51(17-19-52)26-30-10-14-44(12-3-13-44)24-36(30)28-4-6-31(45)7-5-28/h4-9,11,15,20-23,25,27H,3,10,12-14,16-19,24,26H2,1-2H3,(H,46,47)(H,48,49)(H,50,54)
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n/an/a 19.2n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361580
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN6O8S/c47-36-4-1-32(2-5-36)40-24-46(28-60-29-46)15-9-35(40)27-52-17-11-31(12-18-52)33-3-7-39(43(22-33)61-37-21-34-10-16-48-44(34)50-26-37)45(54)51-62(57,58)38-6-8-41(42(23-38)53(55)56)49-25-30-13-19-59-20-14-30/h1-8,10-11,16,21-23,26,30,49H,9,12-15,17-20,24-25,27-29H2,(H,48,50)(H,51,54)
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n/an/a 20.6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361586
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H43ClN8O6S/c45-31-6-4-27(5-7-31)36-24-44(12-1-13-44)14-10-30(36)26-51-16-18-52(19-17-51)32-8-9-35(39(21-32)59-33-20-29-11-15-46-41(29)47-25-33)43(54)50-60(57,58)34-22-37-40(38(23-34)53(55)56)49-42(48-37)28-2-3-28/h4-9,11,15,20-23,25,28H,1-3,10,12-14,16-19,24,26H2,(H,46,47)(H,48,49)(H,50,54)
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n/an/a 20.7n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361587
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cnn(CC3CCOCC3)c12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)30-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-28-38)46(57)52-64(60,61)39-23-35-27-51-55(29-31-10-20-62-21-11-31)44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
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n/an/a 67.5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361582
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H44ClN7O6S/c1-47(2)37-11-9-34(24-38(37)50(52)53)57(54,55)46-41(51)35-10-8-32(23-39(35)56-33-22-29-13-17-44-40(29)45-26-33)49-20-18-48(19-21-49)27-30-12-16-42(14-3-15-42)25-36(30)28-4-6-31(43)7-5-28/h4-11,13,17,22-24,26H,3,12,14-16,18-21,25,27H2,1-2H3,(H,44,45)(H,46,51)
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n/an/a 77.8n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens (Human))
BDBM361583
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H51ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11,19,24-26,29,31-32,50H,1,10,12-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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n/an/a 139n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM361579
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H46ClN7O9S/c45-32-3-1-29(2-4-32)38-22-44(27-59-28-44)11-9-31(38)25-50-13-15-51(16-14-50)33-5-7-37(41(20-33)61-34-19-30-10-12-46-42(30)48-23-34)43(53)49-62(56,57)36-6-8-39(40(21-36)52(54)55)47-24-35-26-58-17-18-60-35/h1-8,10,12,19-21,23,35,47H,9,11,13-18,22,24-28H2,(H,46,48)(H,49,53)
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n/an/a>5.00E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM361577
PNG
((S)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

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US Patent US10221174 (2019)

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