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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'drennen' and Initial = 'b'   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM618607
PNG
(US11760752, Compound S-63845)
Show SMILES CN1CCN(CCOc2ccc(-c3c(sc4ncnc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |(-7.79,-11.47,;-6.28,-11.15,;-5.25,-12.3,;-3.74,-11.98,;-3.27,-10.51,;-1.76,-10.19,;-1.28,-8.73,;.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-5.15,;7.59,-4.38,;8.93,-5.15,;8.93,-6.69,;10.26,-7.46,;11.59,-6.69,;11.59,-5.15,;10.26,-4.38,;10.26,-2.84,;8.93,-2.07,;8.93,-.53,;7.68,.37,;8.16,1.84,;9.7,1.84,;10.17,.37,;11.64,-.1,;12.78,.93,;13.92,1.96,;13.81,-.22,;11.75,2.07,;6.26,-6.69,;4.92,-7.46,;7.59,-7.46,;3.59,-2.07,;-.32,-1.3,;-1.22,-2.55,;-2.69,-2.07,;-2.69,-.53,;-3.94,.37,;-1.22,-.06,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;-1.84,-6.12,;-4.3,-9.37,;-5.8,-9.69,)|
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39n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50589742
PNG
(CHEMBL5173872)
Show SMILES CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wU:21.21,(.89,-8.59,;.6,-7.39,;1.71,-6.33,;1.35,-4.83,;-.13,-4.4,;-.49,-2.9,;.63,-1.84,;.27,-.34,;1.38,.72,;1.02,2.22,;2.13,3.28,;3.61,2.84,;4.64,3.99,;6.17,3.83,;6.8,5.23,;5.66,6.26,;5.66,7.8,;4.32,8.57,;2.99,7.8,;2.99,6.26,;1.65,5.5,;.32,6.27,;-1.02,5.5,;-2.35,6.27,;-2.35,7.81,;-3.67,8.59,;-5.01,7.82,;-5.01,6.28,;-3.69,5.51,;-3.69,3.97,;-5.04,3.2,;-5.04,1.66,;-3.8,.78,;-4.28,-.69,;-5.82,-.69,;-6.29,.78,;-7.75,1.27,;-8.9,.25,;-9.83,-.56,;-8.66,-.95,;-10.07,.64,;.32,7.81,;1.39,8.43,;-.75,8.43,;4.32,5.49,;6.95,2.49,;6.42,1.07,;7.64,.13,;8.91,1,;10.07,.59,;8.47,2.49,;3.98,1.35,;5.16,1.01,;2.86,.29,;3.15,-.91,;-1.24,-5.46,;-.88,-6.96,)|
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<40n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424732
PNG
(CHEMBL2314209)
Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl
Show InChI InChI=1S/C20H19Cl2NO3/c1-11-8-14(9-12(2)18(11)22)26-7-3-4-16-15-6-5-13(21)10-17(15)23-19(16)20(24)25/h5-6,8-10,23H,3-4,7H2,1-2H3,(H,24,25)
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247n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424749
PNG
(CHEMBL2314171 | US11760752, Compound Fesik Indole)
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3/c1-12-9-15(10-13(2)19(12)23)27-8-4-5-17-16-7-6-14(22)11-18(16)24(3)20(17)21(25)26/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,26)
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247n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50424749
PNG
(CHEMBL2314171 | US11760752, Compound Fesik Indole)
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3/c1-12-9-15(10-13(2)19(12)23)27-8-4-5-17-16-7-6-14(22)11-18(16)24(3)20(17)21(25)26/h6-7,9-11H,4-5,8H2,1-3H3,(H,25,26)
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247n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618602
PNG
(US11760752, Compound NB-1-089)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5ccco5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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260n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618602
PNG
(US11760752, Compound NB-1-089)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5ccco5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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266n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618573
PNG
(US11760752, Compound NB-1-084)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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280n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618586
PNG
(US11760752, Compound NB-1-086)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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320n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618605
PNG
(US11760752, Compound CG-1-019)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5ccco5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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325n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618603
PNG
(US11760752, Compound CG-1-016)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(c4)N4CCOCC4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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370n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618605
PNG
(US11760752, Compound CG-1-019)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5ccco5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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384n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618604
PNG
(US11760752, Compound CG-1-018)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5cccnc5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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384n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618617
PNG
(US11760752, Compound 33)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
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420n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50589726
PNG
(CHEMBL5206019)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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420n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618604
PNG
(US11760752, Compound CG-1-018)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5cccnc5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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436n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618603
PNG
(US11760752, Compound CG-1-016)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(c4)N4CCOCC4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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436n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM618603
PNG
(US11760752, Compound CG-1-016)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(c4)N4CCOCC4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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451n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50589739
PNG
(CHEMBL5197460)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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460n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589731
PNG
(CHEMBL5182327 | US11760752, Compound 38)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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460n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618630
PNG
(US11760752, Compound 46)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(c(NCCc4cccnc4)c3)N(=O)=O)cc2)cc(C)c1Cl
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Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589731
PNG
(CHEMBL5182327 | US11760752, Compound 38)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4cccnc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM618478
PNG
(US11760752, Compound BD-3-180)
Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
PDB
MMDB

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KEGG

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Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM618604
PNG
(US11760752, Compound CG-1-018)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(c(NCc5cccnc5)c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589724
PNG
(CHEMBL5188517 | US11760752, Compound 31)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl
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More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589724
PNG
(CHEMBL5188517 | US11760752, Compound 31)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)c1Cl
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Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM618587
PNG
(US11760752, Compound NB-1-087)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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520n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618616
PNG
(US11760752, Compound 32)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
PDB

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Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589725
PNG
(CHEMBL5209122)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618602
PNG
(US11760752, Compound NB-1-089)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5ccco5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB
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More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618587
PNG
(US11760752, Compound NB-1-087)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB
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557n/an/an/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM618586
PNG
(US11760752, Compound NB-1-086)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
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More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589727
PNG
(CHEMBL5172723)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618618
PNG
(US11760752, Compound 34)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
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More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618478
PNG
(US11760752, Compound BD-3-180)
Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
PDB

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More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618479
PNG
(US11760752, Compound BD-3-181)
Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4cccnc4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
PDB
MMDB

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Citation and Details
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM618478
PNG
(US11760752, Compound BD-3-180)
Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCc4ccco4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
PDB
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More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618620
PNG
(US11760752, Compound 36)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
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More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589729
PNG
(CHEMBL5176177)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCc4ccn(C)n4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618587
PNG
(US11760752, Compound NB-1-087)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)c4ccc(NCc5cccnc5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB

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


(Homo sapiens (Human))
BDBM50589728
PNG
(CHEMBL5181405)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM618634
PNG
(US11760752, Compound 51)
Show SMILES Cc1cc(Oc2ccc(Cn3nc(C(=O)NS(=O)(=O)Cc4ccc(N5CCOCC5)c(c4)[N+]([O-])=O)c4cc(Cl)ccc34)cc2)cc(C)c1Cl
PDB

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


(Homo sapiens (Human))
BDBM618619
PNG
(US11760752, Compound 35)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccco4)c(c3)N(=O)=O)cc2)cc(C)c1Cl
PDB

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620n/an/an/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50589733
PNG
(CHEMBL5183183 | US11760752, Compound 40)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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Citation and Details

Article DOI: 10.1039/d2md00095d
BindingDB Entry DOI: 10.7270/Q2XK8KHN
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50589733
PNG
(CHEMBL5183183 | US11760752, Compound 40)
Show SMILES Cc1cc(Oc2ccc(Cn3nc4ccc(Cl)cc4c3C(=O)NS(=O)(=O)c3ccc(NCCc4ccncc4)c(c3)[N+]([O-])=O)cc2)cc(C)c1Cl
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More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM618499
PNG
(US11760752, Compound BD-3-184)
Show SMILES Cc1cc(OCCCn2nc(C(=O)NS(=O)(=O)c3ccc(NCC4CCCO4)c(c3)[N+]([O-])=O)c3cc(Cl)ccc23)cc(C)c1Cl
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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690n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
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