Found 2314 hits with Last Name = 'bian' and Initial = 'z' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521465
(CHEMBL4449014 | US11596639, Example 88)Show SMILES C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(7.6,-25.05,;8.51,-26.3,;10.05,-26.14,;10.96,-27.38,;12.49,-27.38,;13.4,-26.13,;14.86,-26.6,;16.1,-25.69,;14.86,-28.13,;16.01,-29.15,;15.7,-30.65,;14.24,-31.13,;13.09,-30.11,;13.41,-28.61,;16.85,-31.67,;16.54,-33.18,;18.31,-31.18,;10.33,-28.79,;11.23,-30.04,;8.8,-28.95,;7.89,-30.2,;7.88,-31.73,;9.21,-32.52,;9.19,-34.06,;10.52,-34.84,;10.5,-36.38,;11.82,-37.15,;11.81,-38.69,;13.15,-39.47,;10.47,-39.45,;10.46,-40.99,;9.14,-38.67,;7.8,-39.43,;9.16,-37.13,;6.43,-29.72,;5.09,-30.5,;3.76,-29.73,;3.76,-28.19,;2.43,-27.42,;5.09,-27.42,;5.08,-24.52,;3.83,-23.62,;2.37,-24.1,;4.3,-22.15,;5.84,-22.15,;6.74,-20.9,;6.32,-23.61,;7.79,-24.08,;6.43,-28.18,;7.89,-27.7,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-12-13-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-17-25(39(48)49)10-11-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929 | US11596639, Example 80)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af... |
J Med Chem 61: 2410-2421 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929 | US11596639, Example 80)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af... |
J Med Chem 61: 2410-2421 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929 | US11596639, Example 80)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af... |
J Med Chem 61: 2410-2421 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597078
(US11596639, Example 677)Show SMILES COCCn1c(cc2cc(COC)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:17.17,(-.95,9.3,;-.44,7.85,;1.08,7.57,;1.59,6.12,;3.1,5.84,;4.22,6.89,;5.58,6.16,;5.29,4.65,;6.23,3.42,;5.64,2,;6.58,.78,;5.99,-.64,;6.93,-1.87,;4.11,1.8,;3.18,3.02,;1.65,2.86,;.74,4.11,;-.79,3.95,;-.79,5.49,;-1.42,2.54,;-.51,1.29,;-1.42,.05,;-.94,-1.42,;.56,-1.75,;1.05,-3.21,;2.55,-3.54,;3.04,-5,;4.56,-5.27,;5.08,-6.71,;6.59,-7.03,;4.09,-7.89,;4.56,-9.36,;2.57,-7.62,;1.61,-8.82,;2.05,-6.18,;-2.88,.52,;-4.22,-.25,;-5.55,.52,;-5.55,2.06,;-6.92,2.77,;-4.22,2.83,;-4.22,4.37,;-5.46,5.28,;-6.93,4.8,;-4.99,6.74,;-3.45,6.74,;-2.68,8.08,;-2.97,5.28,;-1.5,4.8,;-2.88,2.06,;1.02,1.45,;1.91,.2,;3.77,4.44,;4.02,8.42,;5.24,9.36,;2.6,9.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597083
(US11596639, Example 682)Show SMILES COCCN(C)c1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:11.11,(8.22,-2.84,;7.24,-1.65,;7.79,-.21,;6.81,.98,;5.29,.78,;4.7,-.64,;4.35,2,;2.82,1.8,;1.88,3.02,;.35,2.86,;-.55,4.11,;-2.08,3.95,;-2.08,5.49,;-2.71,2.54,;-1.81,1.29,;-2.71,.05,;-2.24,-1.42,;-.73,-1.75,;-.25,-3.21,;1.26,-3.54,;1.75,-5,;3.26,-5.27,;3.79,-6.71,;5.29,-7.03,;2.8,-7.89,;3.27,-9.36,;1.28,-7.62,;.31,-8.82,;.75,-6.18,;-4.18,.52,;-5.51,-.25,;-6.84,.52,;-6.84,2.06,;-8.21,2.77,;-5.51,2.83,;-5.51,4.37,;-6.75,5.28,;-8.22,4.8,;-6.28,6.74,;-4.74,6.74,;-3.97,8.08,;-4.26,5.28,;-2.8,4.8,;-4.18,2.06,;-.27,1.45,;.62,.2,;2.47,4.44,;1.81,5.84,;.3,6.12,;2.93,6.89,;4.28,6.16,;4,4.65,;4.94,3.42,;2.73,8.42,;3.95,9.36,;1.31,9.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597087
(US11596639, Example 686)Show SMILES COCCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-2.3,9.47,;-.78,9.19,;-.27,7.74,;1.25,7.46,;1.76,6,;3.27,5.72,;4.39,6.78,;5.74,6.05,;5.46,4.53,;6.4,3.31,;5.81,1.89,;6.75,.67,;4.28,1.69,;3.35,2.91,;1.82,2.75,;.91,4,;-.62,3.83,;-.62,5.37,;-1.25,2.43,;-.34,1.18,;-1.25,-.06,;-.78,-1.53,;.73,-1.86,;1.22,-3.32,;2.72,-3.65,;3.21,-5.11,;4.72,-5.38,;5.25,-6.83,;6.76,-7.15,;4.26,-8,;4.73,-9.47,;2.74,-7.74,;1.78,-8.93,;2.22,-6.29,;-2.71,.41,;-4.05,-.36,;-5.38,.41,;-5.38,1.95,;-6.75,2.66,;-4.05,2.72,;-4.05,4.26,;-5.29,5.17,;-6.76,4.69,;-4.82,6.63,;-3.28,6.63,;-2.51,7.97,;-2.8,5.17,;-1.34,4.69,;-2.71,1.95,;1.19,1.34,;2.08,.09,;3.94,4.33,;4.19,8.31,;5.41,9.25,;2.77,8.9,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597088
(US11596639, Example 687)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(nc23)-c2nn[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,4.69,;-.81,3.15,;.72,3.32,;1.63,2.07,;3.16,2.23,;4.22,1.11,;5.61,1.78,;6.94,1.01,;5.41,3.3,;6.41,4.47,;5.9,5.93,;4.38,6.21,;3.38,5.04,;3.9,3.58,;3.87,7.66,;4.77,8.9,;3.87,10.15,;2.4,9.67,;2.4,8.13,;1,.66,;1.9,-.59,;-.53,.5,;-1.43,-.74,;-.96,-2.21,;.54,-2.54,;1.03,-4,;2.53,-4.33,;3.02,-5.79,;4.54,-6.06,;5.06,-7.51,;6.57,-7.82,;4.07,-8.68,;4.55,-10.15,;2.56,-8.42,;1.59,-9.61,;2.03,-6.97,;-2.9,-.27,;-4.23,-1.04,;-5.57,-.27,;-5.57,1.27,;-6.94,1.98,;-4.23,2.04,;-4.23,3.58,;-5.48,4.49,;-6.94,4.01,;-5,5.95,;-3.46,5.95,;-2.69,7.29,;-2.99,4.49,;-1.52,4.01,;-2.9,1.27,;-1.43,1.75,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597092
(US11596639, Example 691)Show SMILES COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc2c1)C(O)=O |r,wD:8.8,(6.93,-2.25,;5.99,-1.02,;6.58,.4,;5.64,1.62,;4.11,1.42,;3.18,2.64,;1.65,2.48,;.74,3.73,;-.79,3.57,;-.79,5.11,;-1.42,2.16,;-.51,.91,;-1.42,-.33,;-.94,-1.8,;.56,-2.13,;1.05,-3.59,;2.55,-3.92,;3.04,-5.38,;4.56,-5.65,;5.08,-7.09,;6.59,-7.41,;4.09,-8.27,;4.56,-9.74,;2.57,-8,;1.61,-9.2,;2.05,-6.56,;-2.88,.14,;-4.22,-.63,;-5.55,.14,;-5.55,1.68,;-6.92,2.39,;-4.22,2.45,;-4.22,3.99,;-5.46,4.9,;-6.93,4.42,;-4.99,6.36,;-3.45,6.36,;-2.68,7.7,;-2.97,4.9,;-1.5,4.42,;-2.88,1.68,;1.02,1.08,;1.91,-.18,;3.77,4.07,;3.1,5.46,;1.59,5.74,;.82,7.07,;1.59,8.4,;.82,9.74,;-.72,9.74,;-1.49,8.4,;-.72,7.07,;4.22,6.52,;5.58,5.78,;5.29,4.27,;6.23,3.04,;4.02,8.04,;5.24,8.98,;2.6,8.63,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597093
(US11596639, Example 692)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCC2COC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.63,5.49,;-2.63,3.95,;-1.1,4.11,;-.2,2.86,;-.82,1.45,;.07,.2,;-2.35,1.29,;-3.26,.05,;-2.79,-1.42,;-1.28,-1.75,;-.8,-3.21,;.71,-3.54,;1.2,-5,;2.71,-5.27,;3.24,-6.71,;4.74,-7.03,;2.25,-7.89,;2.72,-9.36,;.73,-7.62,;-.24,-8.82,;.2,-6.18,;-4.72,.52,;-6.06,-.25,;-7.39,.52,;-7.39,2.06,;-8.76,2.77,;-6.06,2.83,;-6.06,4.37,;-7.3,5.28,;-8.77,4.8,;-6.83,6.74,;-5.29,6.74,;-4.52,8.08,;-4.81,5.28,;-3.35,4.8,;-4.72,2.06,;-3.26,2.54,;1.33,3.02,;2.27,1.8,;3.8,2,;4.74,.78,;4.15,-.64,;5.08,-1.87,;6.61,-1.67,;7.83,-2.6,;8.77,-1.38,;7.55,-.44,;4.39,3.42,;3.45,4.65,;3.73,6.16,;2.38,6.89,;2.18,8.42,;3.4,9.36,;.76,9.01,;1.26,5.84,;-.25,6.12,;1.92,4.44,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597094
(US11596639, Example 693)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.25,5.49,;-3.25,3.95,;-1.72,4.11,;-.82,2.86,;-1.44,1.45,;-.55,.2,;-2.98,1.29,;-3.88,.05,;-3.41,-1.42,;-1.9,-1.75,;-1.42,-3.21,;.09,-3.54,;.57,-5,;2.09,-5.27,;2.62,-6.71,;4.12,-7.03,;1.63,-7.89,;2.1,-9.36,;.11,-7.62,;-.86,-8.82,;-.42,-6.18,;-5.35,.52,;-6.68,-.25,;-8.01,.52,;-8.01,2.06,;-9.38,2.77,;-6.68,2.83,;-6.68,4.37,;-7.93,5.28,;-9.39,4.8,;-7.45,6.74,;-5.91,6.74,;-5.14,8.08,;-5.43,5.28,;-3.97,4.8,;-5.35,2.06,;-3.88,2.54,;.71,3.02,;1.65,1.8,;3.18,2,;4.11,.78,;3.52,-.64,;4.46,-1.87,;5.99,-1.67,;6.93,-2.89,;6.34,-4.31,;7.27,-5.53,;8.8,-5.33,;9.39,-3.91,;8.45,-2.69,;3.77,3.42,;2.83,4.65,;3.11,6.16,;1.76,6.89,;1.56,8.42,;2.78,9.36,;.14,9.01,;.64,5.84,;-.87,6.12,;1.3,4.44,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597095
(US11596639, Example 694)Show SMILES C[C@@H]1CN(c2cn(C[C@H]3CCCN3C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:8.7,wD:1.0,(-1.43,5.36,;-1.43,3.82,;.1,3.98,;1.01,2.73,;2.54,2.89,;3.6,1.77,;4.99,2.44,;6.32,1.67,;6.32,.13,;7.57,-.78,;7.09,-2.24,;5.55,-2.24,;5.07,-.78,;3.61,-.3,;4.79,3.96,;5.79,5.13,;5.27,6.59,;3.76,6.87,;2.76,5.7,;3.27,4.24,;3.25,8.32,;1.73,8.6,;4.25,9.49,;.38,1.32,;1.27,.07,;-1.15,1.16,;-2.06,-.08,;-1.58,-1.55,;-.08,-1.88,;.41,-3.34,;1.91,-3.67,;2.4,-5.13,;3.91,-5.4,;4.44,-6.84,;5.95,-7.16,;3.45,-8.02,;3.92,-9.49,;1.93,-7.76,;.97,-8.95,;1.41,-6.31,;-3.52,.39,;-4.86,-.38,;-6.19,.39,;-6.19,1.93,;-7.56,2.64,;-4.86,2.7,;-4.86,4.24,;-6.1,5.15,;-7.57,4.67,;-5.63,6.61,;-4.09,6.61,;-3.32,7.95,;-3.61,5.15,;-2.15,4.67,;-3.52,1.93,;-2.06,2.41,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597098
(US11596639, Example 697)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2cc(C(O)=O)n(C)c12)C(O)=O |r,wD:1.0,(-1.38,5.49,;-1.38,3.95,;.15,4.11,;1.06,2.86,;.43,1.45,;1.32,.2,;-1.1,1.29,;-2.01,.05,;-1.53,-1.42,;-.03,-1.75,;.46,-3.21,;1.96,-3.54,;2.45,-5,;3.97,-5.27,;4.49,-6.71,;6,-7.03,;3.5,-7.89,;3.97,-9.36,;1.98,-7.62,;1.02,-8.82,;1.46,-6.18,;-3.47,.52,;-4.81,-.25,;-6.14,.52,;-6.14,2.06,;-7.51,2.77,;-4.81,2.83,;-4.81,4.37,;-6.05,5.28,;-7.52,4.8,;-5.58,6.74,;-4.04,6.74,;-3.27,8.08,;-3.56,5.28,;-2.09,4.8,;-3.47,2.06,;-2.01,2.54,;2.59,3.02,;3.52,1.8,;5.05,2,;5.64,3.42,;4.7,4.65,;4.99,6.16,;3.63,6.89,;3.43,8.42,;4.65,9.36,;2.01,9.01,;2.52,5.84,;1,6.12,;3.18,4.44,;5.99,.78,;5.4,-.64,;7.52,.98,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597102
(US11596639, Example 709)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.8,9.31,;-.31,7.85,;1.2,7.55,;1.69,6.09,;3.2,5.78,;4.33,6.83,;5.68,6.07,;5.37,4.56,;6.29,3.33,;5.68,1.91,;6.62,.69,;4.15,1.73,;3.23,2.97,;1.71,2.74,;.81,3.98,;-.73,3.82,;-1.16,5.3,;-1.35,2.42,;-.45,1.17,;-1.35,-.07,;-.83,-1.52,;.68,-1.81,;1.21,-3.26,;2.72,-3.56,;3.22,-5.02,;4.74,-5.21,;5.34,-6.63,;6.86,-6.87,;4.41,-7.86,;4.92,-9.31,;2.88,-7.66,;1.95,-8.89,;2.29,-6.24,;-2.82,.4,;-4.15,-.37,;-5.48,.4,;-5.48,1.94,;-6.86,2.63,;-4.15,2.71,;-4.15,4.25,;-5.4,5.16,;-6.86,4.68,;-4.92,6.62,;-3.38,6.62,;-2.61,7.95,;-2.91,5.16,;-1.44,4.68,;-2.82,1.94,;1.08,1.33,;2,.1,;3.84,4.38,;4.16,8.36,;2.74,8.97,;5.39,9.28,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597103
(US11596639, Example 710)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.47,9.34,;-.09,7.89,;1.4,7.46,;1.88,6.06,;3.38,5.68,;4.44,6.74,;5.78,5.97,;5.49,4.48,;6.36,3.27,;5.78,1.88,;6.7,.63,;4.24,1.73,;3.38,2.89,;1.84,2.74,;.92,3.99,;-.52,3.85,;-.95,5.25,;-1.2,2.45,;-.28,1.25,;-1.2,,;-.71,-1.44,;.83,-1.83,;1.26,-3.18,;2.75,-3.56,;3.18,-4.96,;4.68,-5.34,;5.11,-6.69,;6.65,-7.03,;4.15,-7.89,;4.63,-9.34,;2.65,-7.56,;1.69,-8.76,;2.22,-6.11,;-2.69,.48,;-3.94,-.29,;-5.24,.43,;-5.24,1.97,;-6.68,2.74,;-3.99,2.74,;-3.99,4.28,;-2.74,5.19,;-1.28,4.71,;-3.22,6.65,;-4.76,6.65,;-5.53,7.99,;-5.23,5.19,;-6.7,4.71,;-2.64,1.97,;1.21,1.4,;2.13,.14,;3.95,4.38,;4.29,8.28,;2.8,8.85,;5.59,9.14,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597104
(US11596639, Example 711)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.07,-2.99,;7.14,-1.76,;5.61,-1.93,;4.7,-.69,;5.32,.72,;4.41,1.97,;2.87,1.83,;2,2.98,;.46,2.84,;-.45,4.09,;-1.89,3.95,;-2.33,5.34,;-2.57,2.55,;-1.65,1.35,;-2.57,.1,;-2.09,-1.35,;-.55,-1.73,;-.11,-3.08,;1.38,-3.46,;1.81,-4.86,;3.3,-5.25,;3.74,-6.59,;5.28,-6.93,;2.77,-7.8,;3.25,-9.24,;1.28,-7.46,;.32,-8.66,;.85,-6.02,;-4.06,.58,;-5.31,-.19,;-6.61,.53,;-6.61,2.07,;-8.05,2.84,;-5.36,2.84,;-5.36,4.38,;-6.61,5.28,;-8.07,4.81,;-6.13,6.75,;-4.59,6.75,;-3.82,8.08,;-4.11,5.28,;-2.65,4.81,;-4.01,2.07,;-.16,1.49,;.75,.24,;2.58,4.48,;2,5.77,;.51,6.16,;3.06,6.83,;4.41,6.06,;4.12,4.57,;4.99,3.37,;2.92,8.37,;1.43,8.95,;4.22,9.24,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597105
(US11596639, Example 712)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.07,-2.99,;7.14,-1.76,;5.61,-1.93,;4.7,-.69,;5.32,.72,;4.41,1.97,;2.87,1.83,;2,2.98,;.46,2.84,;-.45,4.09,;-1.89,3.95,;-2.33,5.34,;-2.57,2.55,;-1.65,1.35,;-2.57,.1,;-2.09,-1.35,;-.55,-1.73,;-.11,-3.08,;1.38,-3.46,;1.81,-4.86,;3.3,-5.25,;3.74,-6.59,;5.28,-6.93,;2.77,-7.8,;3.25,-9.24,;1.28,-7.46,;.32,-8.66,;.85,-6.02,;-4.06,.58,;-5.31,-.19,;-6.61,.53,;-6.61,2.07,;-8.05,2.84,;-5.36,2.84,;-5.36,4.38,;-4.11,5.28,;-2.65,4.81,;-4.59,6.75,;-6.13,6.75,;-6.9,8.08,;-6.61,5.28,;-8.07,4.81,;-4.01,2.07,;-.16,1.49,;.75,.24,;2.58,4.48,;2,5.77,;.51,6.16,;3.06,6.83,;4.41,6.06,;4.12,4.57,;4.99,3.37,;2.92,8.37,;1.43,8.95,;4.22,9.24,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597106
(US11596639, Example 713)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.95,5.05,;-.52,3.65,;.92,3.8,;1.84,2.55,;1.21,1.2,;2.13,-.05,;-.28,1.05,;-1.2,-.2,;-.71,-1.64,;.83,-2.03,;1.26,-3.37,;2.75,-3.76,;3.18,-5.15,;4.68,-5.54,;5.11,-6.89,;6.65,-7.22,;4.15,-8.09,;4.63,-9.53,;2.65,-7.75,;1.69,-8.96,;2.22,-6.31,;-2.69,.28,;-3.94,-.49,;-5.24,.24,;-5.24,1.78,;-6.68,2.55,;-3.99,2.55,;-3.99,4.09,;-5.23,4.99,;-6.7,4.52,;-4.76,6.46,;-3.22,6.46,;-2.45,7.79,;-2.74,4.99,;-1.28,4.52,;-2.64,1.78,;-1.2,2.26,;3.38,2.69,;4.24,1.54,;5.78,1.68,;6.7,.43,;6.36,3.08,;5.49,4.28,;5.78,5.77,;4.44,6.54,;4.29,8.08,;2.8,8.66,;5.59,8.95,;3.38,5.48,;1.88,5.87,;.8,6.96,;1.19,8.44,;.11,9.53,;-1.38,9.13,;-1.78,7.65,;-.69,6.56,;3.95,4.18,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597107
(US11596639, Example 714)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.95,5.05,;-.52,3.65,;.92,3.8,;1.84,2.55,;1.21,1.2,;2.13,-.05,;-.28,1.05,;-1.2,-.2,;-.71,-1.64,;.83,-2.03,;1.26,-3.37,;2.75,-3.76,;3.18,-5.15,;4.68,-5.54,;5.11,-6.89,;6.65,-7.22,;4.15,-8.09,;4.63,-9.53,;2.65,-7.75,;1.69,-8.96,;2.22,-6.31,;-2.69,.28,;-3.94,-.49,;-5.24,.24,;-5.24,1.78,;-6.68,2.55,;-3.99,2.55,;-3.99,4.09,;-2.74,4.99,;-1.28,4.52,;-3.22,6.46,;-4.76,6.46,;-5.53,7.79,;-5.23,4.99,;-6.7,4.52,;-2.64,1.78,;-1.2,2.26,;3.38,2.69,;4.24,1.54,;5.78,1.68,;6.7,.43,;6.36,3.08,;5.49,4.28,;5.78,5.77,;4.44,6.54,;4.29,8.08,;2.8,8.66,;5.59,8.95,;3.38,5.48,;1.88,5.87,;.8,6.96,;1.19,8.44,;.11,9.53,;-1.38,9.13,;-1.78,7.65,;-.69,6.56,;3.95,4.18,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597108
(US11596639, Example 715)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.95,5.67,;-1.95,4.13,;-.41,4.29,;.49,3.05,;-.13,1.64,;.77,.39,;-1.67,1.48,;-2.57,.23,;-2.17,-1.25,;-.69,-1.65,;-.29,-3.14,;1.2,-3.54,;1.6,-5.03,;3.09,-5.42,;3.49,-6.91,;4.97,-7.31,;2.4,-8,;2.79,-9.49,;.91,-7.6,;-.18,-8.69,;.51,-6.12,;-4.04,.71,;-5.37,-.06,;-6.7,.71,;-6.7,2.25,;-8.04,3.02,;-5.37,3.02,;-5.37,4.56,;-6.62,5.46,;-8.08,4.99,;-6.14,6.93,;-4.6,6.93,;-3.69,8.17,;-4.12,5.46,;-2.66,4.99,;-4.04,2.25,;-2.57,2.73,;2.02,3.21,;2.93,1.96,;4.46,2.12,;5.36,.88,;4.74,-.53,;5.64,-1.78,;5.02,-3.18,;5.92,-4.43,;7.45,-4.27,;8.08,-2.86,;7.18,-1.61,;5.09,3.53,;4.18,4.78,;4.5,6.28,;3.17,7.05,;3.01,8.58,;4.25,9.49,;1.6,9.21,;2.02,6.02,;.52,6.34,;2.65,4.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597109
(US11596639, Example 716)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)n[nH]c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.08,-2.86,;7.18,-1.61,;5.64,-1.78,;4.74,-.53,;5.36,.88,;4.46,2.12,;2.93,1.96,;2.02,3.21,;.49,3.05,;-.41,4.29,;-1.95,4.13,;-1.95,5.67,;-2.57,2.73,;-1.67,1.48,;-2.57,.23,;-2.17,-1.25,;-.69,-1.65,;-.29,-3.14,;1.2,-3.54,;1.6,-5.03,;3.09,-5.42,;3.49,-6.91,;4.97,-7.31,;2.4,-8,;2.79,-9.49,;.91,-7.6,;-.18,-8.69,;.51,-6.12,;-4.04,.71,;-5.37,-.06,;-6.7,.71,;-6.7,2.25,;-8.04,3.02,;-5.37,3.02,;-5.37,4.56,;-6.62,5.46,;-8.08,4.99,;-6.14,6.93,;-4.6,6.93,;-4.12,5.46,;-2.66,4.99,;-4.04,2.25,;-.13,1.64,;.77,.39,;2.65,4.61,;2.02,6.02,;.52,6.34,;3.17,7.05,;4.5,6.28,;4.18,4.78,;5.09,3.53,;3.01,8.58,;4.25,9.49,;1.6,9.21,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597110
(US11596639, Example 717)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nc(CN7CCOCC7)nc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(.06,8.21,;.54,6.74,;2.04,6.42,;2.52,4.96,;4.03,4.64,;5.17,5.67,;6.5,4.9,;6.18,3.39,;7.09,2.14,;6.46,.74,;7.37,-.51,;4.93,.58,;4.03,1.82,;2.49,1.66,;1.59,2.91,;.06,2.75,;.06,4.29,;-.57,1.34,;.34,.09,;-.57,-1.15,;-.17,-2.64,;1.32,-3.04,;1.72,-4.53,;3.2,-4.92,;3.6,-6.41,;5.09,-6.81,;5.49,-8.3,;6.98,-8.7,;4.4,-9.39,;4.8,-10.87,;2.91,-8.99,;1.82,-10.08,;2.51,-7.5,;-2.03,-.68,;-3.37,-1.45,;-4.7,-.68,;-4.7,.86,;-6.03,1.63,;-3.37,1.63,;-3.37,3.17,;-2.03,3.94,;-.7,3.17,;-2.03,5.48,;-3.37,6.25,;-3.37,7.79,;-4.7,8.56,;-4.7,10.1,;-6.03,10.87,;-7.37,10.1,;-7.37,8.56,;-6.03,7.79,;-4.7,5.48,;-4.7,3.94,;-6.03,3.17,;-2.03,.86,;1.87,.25,;2.77,-.99,;4.65,3.23,;5.01,7.2,;6.26,8.1,;3.6,7.83,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597111
(US11596639, Example 718)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)n[nH]c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.58,9.54,;-.11,8.08,;1.4,7.76,;1.87,6.29,;3.38,5.97,;4.53,7,;5.86,6.23,;5.54,4.72,;6.44,3.48,;5.82,2.07,;6.72,.83,;4.29,1.91,;3.38,3.16,;1.85,3,;.94,4.24,;-.59,4.08,;-.59,5.62,;-1.21,2.67,;-.31,1.43,;-1.21,.18,;-.82,-1.31,;.67,-1.7,;1.07,-3.19,;2.56,-3.59,;2.96,-5.08,;4.44,-5.48,;4.84,-6.96,;6.33,-7.36,;3.75,-8.05,;4.15,-9.54,;2.27,-7.65,;1.18,-8.74,;1.87,-6.17,;-2.68,.66,;-4.01,-.11,;-5.35,.66,;-5.35,2.2,;-6.68,2.97,;-4.01,2.97,;-4.01,4.51,;-5.26,5.41,;-6.72,4.94,;-4.78,6.88,;-3.24,6.88,;-2.77,5.41,;-1.3,4.94,;-2.68,2.2,;1.22,1.59,;2.13,.34,;4.01,4.56,;4.36,8.53,;5.61,9.44,;2.96,9.16,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597112
(US11596639, Example 719)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)n[nH]c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.59,5.18,;-.59,3.64,;.94,3.8,;1.85,2.55,;1.22,1.15,;2.13,-.1,;-.31,.99,;-1.21,-.26,;-.82,-1.75,;.67,-2.15,;1.07,-3.63,;2.56,-4.03,;2.96,-5.52,;4.44,-5.92,;4.84,-7.41,;6.33,-7.8,;3.75,-8.49,;4.15,-9.98,;2.27,-8.1,;1.18,-9.18,;1.87,-6.61,;-2.68,.22,;-4.01,-.55,;-5.35,.22,;-5.35,1.76,;-6.68,2.53,;-4.01,2.53,;-4.01,4.07,;-5.26,4.97,;-6.72,4.5,;-4.78,6.44,;-3.24,6.44,;-2.77,4.97,;-1.3,4.5,;-2.68,1.76,;-1.21,2.23,;3.38,2.72,;4.29,1.47,;5.82,1.63,;6.72,.38,;6.44,3.04,;5.54,4.28,;5.86,5.79,;4.53,6.56,;4.36,8.09,;5.61,9,;2.96,8.72,;3.38,5.53,;1.87,5.85,;1.4,7.31,;2.17,8.65,;1.4,9.98,;-.14,9.98,;-.91,8.65,;-.14,7.31,;4.01,4.12,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597114
(US11596639, Example 721)Show SMILES COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1OC)C(O)=O |r,wD:7.7,(7.31,1.04,;5.78,.88,;4.88,2.12,;3.35,1.96,;2.44,3.21,;.91,3.05,;0,4.29,;-1.53,4.13,;-1.53,5.67,;-2.15,2.73,;-1.25,1.48,;-2.15,.23,;-1.75,-1.25,;-.27,-1.65,;.13,-3.14,;1.62,-3.54,;2.02,-5.03,;3.5,-5.42,;3.9,-6.91,;5.39,-7.31,;2.81,-8,;3.21,-9.49,;1.33,-7.6,;.24,-8.69,;.93,-6.12,;-3.62,.71,;-4.95,-.06,;-6.29,.71,;-6.29,2.25,;-7.62,3.02,;-4.95,3.02,;-4.95,4.56,;-6.2,5.46,;-7.66,4.99,;-5.72,6.93,;-4.18,6.93,;-3.28,8.17,;-3.71,5.46,;-2.24,4.99,;-3.62,2.25,;.28,1.64,;1.19,.39,;3.07,4.61,;2.44,6.02,;.93,6.34,;3.59,7.05,;4.92,6.28,;4.6,4.78,;5.5,3.53,;7.04,3.69,;7.66,5.1,;3.42,8.58,;4.67,9.49,;2.02,9.21,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597116
(US11596639, Example 723)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCCCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.95,5.67,;-1.95,4.13,;-.41,4.29,;.49,3.05,;-.13,1.64,;.77,.39,;-1.67,1.48,;-2.57,.23,;-2.17,-1.25,;-.69,-1.65,;-.29,-3.14,;1.2,-3.54,;1.6,-5.03,;3.09,-5.42,;3.49,-6.91,;4.97,-7.31,;2.4,-8,;2.79,-9.49,;.91,-7.6,;-.18,-8.69,;.51,-6.12,;-4.04,.71,;-5.37,-.06,;-6.7,.71,;-6.7,2.25,;-8.04,3.02,;-5.37,3.02,;-5.37,4.56,;-6.62,5.46,;-8.08,4.99,;-6.14,6.93,;-4.6,6.93,;-3.69,8.17,;-4.12,5.46,;-2.66,4.99,;-4.04,2.25,;-2.57,2.73,;2.02,3.21,;2.93,1.96,;4.46,2.12,;5.36,.88,;4.74,-.53,;5.64,-1.78,;5.02,-3.18,;5.92,-4.43,;7.45,-4.27,;8.08,-2.86,;7.18,-1.61,;5.09,3.53,;4.18,4.78,;4.5,6.28,;3.17,7.05,;3.01,8.58,;4.25,9.49,;1.6,9.21,;2.02,6.02,;.52,6.34,;2.65,4.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597117
(US11596639, Example 724)Show SMILES COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)n[nH]c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc12)C(O)=O |r,wD:8.8,(7.66,4.61,;7.04,3.2,;5.5,3.04,;4.88,1.63,;3.35,1.47,;2.44,2.72,;.91,2.55,;0,3.8,;-1.53,3.64,;-1.53,5.18,;-2.15,2.23,;-1.25,.99,;-2.15,-.26,;-1.75,-1.75,;-.27,-2.15,;.13,-3.63,;1.62,-4.03,;2.02,-5.52,;3.5,-5.92,;3.9,-7.41,;5.39,-7.8,;2.81,-8.49,;3.21,-9.98,;1.33,-8.1,;.24,-9.18,;.93,-6.61,;-3.62,.22,;-4.95,-.55,;-6.29,.22,;-6.29,1.76,;-7.62,2.53,;-4.95,2.53,;-4.95,4.07,;-6.2,4.97,;-7.66,4.5,;-5.72,6.44,;-4.18,6.44,;-3.71,4.97,;-2.24,4.5,;-3.62,1.76,;.28,1.15,;1.19,-.1,;3.07,4.12,;2.44,5.53,;.93,5.85,;.46,7.31,;1.23,8.65,;.46,9.98,;-1.08,9.98,;-1.85,8.65,;-1.08,7.31,;3.59,6.56,;4.92,5.79,;4.6,4.28,;3.42,8.09,;4.67,9,;2.02,8.72,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597118
(US11596639, Example 725)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCN(C)CC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.08,5.67,;-2.08,4.13,;-.55,4.29,;.35,3.05,;-.27,1.64,;.63,.39,;-1.81,1.48,;-2.71,.23,;-2.31,-1.25,;-.83,-1.65,;-.43,-3.14,;1.06,-3.54,;1.46,-5.03,;2.95,-5.42,;3.35,-6.91,;4.83,-7.31,;2.26,-8,;2.66,-9.49,;.77,-7.6,;-.32,-8.69,;.37,-6.12,;-4.18,.71,;-5.51,-.06,;-6.84,.71,;-6.84,2.25,;-8.18,3.02,;-5.51,3.02,;-5.51,4.56,;-6.76,5.46,;-8.22,4.99,;-6.28,6.93,;-4.74,6.93,;-3.83,8.17,;-4.26,5.46,;-2.8,4.99,;-4.18,2.25,;-2.71,2.73,;1.88,3.21,;2.79,1.96,;4.32,2.12,;5.23,.88,;4.6,-.53,;5.5,-1.78,;4.88,-3.18,;5.78,-4.43,;7.31,-4.27,;8.22,-5.51,;7.94,-2.86,;7.04,-1.61,;4.95,3.53,;4.04,4.78,;4.36,6.28,;3.03,7.05,;2.87,8.58,;4.11,9.49,;1.46,9.21,;1.88,6.02,;.38,6.34,;2.51,4.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597119
(US11596639, Example 726)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1c(C)ccc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-.45,5.67,;-.45,4.13,;1.08,4.29,;1.99,3.05,;1.36,1.64,;2.27,.39,;-.17,1.48,;-1.07,.23,;-.68,-1.25,;.81,-1.65,;1.21,-3.14,;2.7,-3.54,;3.1,-5.03,;4.58,-5.42,;4.98,-6.91,;6.47,-7.31,;3.89,-8,;4.29,-9.49,;2.41,-7.6,;1.32,-8.69,;2.01,-6.12,;-2.54,.71,;-3.87,-.06,;-5.21,.71,;-5.21,2.25,;-6.54,3.02,;-3.87,3.02,;-3.87,4.56,;-5.12,5.46,;-6.58,4.99,;-4.64,6.93,;-3.1,6.93,;-2.2,8.17,;-2.63,5.46,;-1.16,4.99,;-2.54,2.25,;-1.07,2.73,;3.52,3.21,;4.43,1.96,;3.8,.56,;5.96,2.12,;6.58,3.53,;5.68,4.78,;6,6.28,;4.66,7.05,;4.5,8.58,;5.75,9.49,;3.1,9.21,;3.52,6.02,;2.01,6.34,;4.15,4.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597120
(US11596639, Example 727)Show SMILES COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)n[nH]c5C)c34)C2=O)c2n(C)c(cc12)C(O)=O |r,wD:8.8,(7.66,5.1,;7.04,3.69,;5.5,3.53,;4.88,2.12,;3.35,1.96,;2.44,3.21,;.91,3.05,;0,4.29,;-1.53,4.13,;-1.53,5.67,;-2.15,2.73,;-1.25,1.48,;-2.15,.23,;-1.75,-1.25,;-.27,-1.65,;.13,-3.14,;1.62,-3.54,;2.02,-5.03,;3.5,-5.42,;3.9,-6.91,;5.39,-7.31,;2.81,-8,;3.21,-9.49,;1.33,-7.6,;.24,-8.69,;.93,-6.12,;-3.62,.71,;-4.95,-.06,;-6.29,.71,;-6.29,2.25,;-7.62,3.02,;-4.95,3.02,;-4.95,4.56,;-6.2,5.46,;-7.66,4.99,;-5.72,6.93,;-4.18,6.93,;-3.71,5.46,;-2.24,4.99,;-3.62,2.25,;.28,1.64,;1.19,.39,;3.07,4.61,;2.44,6.02,;.93,6.34,;3.59,7.05,;4.92,6.28,;4.6,4.78,;3.42,8.58,;4.67,9.49,;2.02,9.21,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597121
(US11596639, Example 728)Show SMILES COCCn1c(cc2c(OC)ccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)n[nH]c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-1.43,9.59,;-1.03,8.1,;.46,7.7,;.93,6.24,;2.44,5.92,;3.59,6.95,;4.92,6.18,;4.6,4.67,;5.5,3.43,;7.04,3.59,;7.66,5,;4.88,2.02,;3.35,1.86,;2.44,3.11,;.91,2.95,;0,4.19,;-1.53,4.03,;-1.53,5.57,;-2.15,2.62,;-1.25,1.38,;-2.15,.13,;-1.75,-1.36,;-.27,-1.75,;.13,-3.24,;1.62,-3.64,;2.02,-5.13,;3.5,-5.53,;3.9,-7.01,;5.39,-7.41,;2.81,-8.1,;3.21,-9.59,;1.33,-7.7,;.24,-8.79,;.93,-6.22,;-3.62,.61,;-4.95,-.16,;-6.29,.61,;-6.29,2.15,;-7.62,2.92,;-4.95,2.92,;-4.95,4.46,;-6.2,5.36,;-7.66,4.89,;-5.72,6.83,;-4.18,6.83,;-3.71,5.36,;-2.24,4.89,;-3.62,2.15,;.28,1.54,;1.19,.29,;3.07,4.51,;3.42,8.48,;4.67,9.39,;2.02,9.11,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597122
(US11596639, Example 729)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nc(CN7CCN(C)C(=O)C7)nc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(.82,8.31,;1.22,6.82,;2.71,6.42,;3.19,4.96,;4.69,4.64,;5.84,5.67,;7.17,4.9,;6.85,3.39,;7.76,2.14,;7.13,.74,;8.03,-.51,;5.6,.58,;4.69,1.82,;3.16,1.66,;2.26,2.91,;.72,2.75,;.72,4.29,;.1,1.34,;1,.09,;.1,-1.15,;.5,-2.64,;1.98,-3.04,;2.38,-4.53,;3.87,-4.92,;4.27,-6.41,;5.76,-6.81,;6.16,-8.3,;7.64,-8.7,;5.07,-9.39,;5.46,-10.87,;3.58,-8.99,;2.49,-10.08,;3.18,-7.5,;-1.37,-.68,;-2.7,-1.45,;-4.03,-.68,;-4.03,.86,;-5.37,1.63,;-2.7,1.63,;-2.7,3.17,;-1.37,3.94,;-.03,3.17,;-1.37,5.48,;-2.7,6.25,;-2.7,7.79,;-4.03,8.56,;-4.03,10.1,;-5.37,10.87,;-6.7,10.1,;-8.03,10.87,;-6.7,8.56,;-8.03,7.79,;-5.37,7.79,;-4.03,5.48,;-4.03,3.94,;-5.37,3.17,;-1.37,.86,;2.53,.25,;3.44,-.99,;5.32,3.23,;5.68,7.2,;6.92,8.1,;4.27,7.83,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596993
(US11596639, Example 590)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.92,5.09,;-1.92,3.55,;-.39,3.71,;.52,2.46,;-.11,1.06,;.78,-.2,;-1.64,.9,;-2.55,-.35,;-2.07,-1.82,;-.57,-2.15,;-.08,-3.61,;1.42,-3.94,;1.91,-5.4,;3.42,-5.66,;3.95,-7.11,;5.46,-7.43,;2.96,-8.29,;3.43,-9.76,;1.44,-8.02,;.48,-9.22,;.92,-6.58,;-4.01,.13,;-5.35,-.64,;-6.68,.13,;-6.68,1.67,;-8.05,2.37,;-5.35,2.44,;-5.35,3.98,;-6.59,4.88,;-8.06,4.4,;-6.12,6.35,;-4.58,6.35,;-3.81,7.68,;-4.1,4.88,;-2.64,4.4,;-4.01,1.67,;-2.55,2.14,;2.05,2.61,;2.94,1.36,;4.48,1.5,;5.37,.25,;6.9,.4,;7.8,-.85,;7.16,-2.26,;5.63,-2.4,;8.06,-3.51,;5.11,2.91,;4.22,4.16,;4.55,5.66,;3.23,6.44,;3.08,7.98,;4.33,8.87,;1.67,8.61,;2.07,5.42,;.57,5.76,;-.2,7.09,;.57,8.42,;-.2,9.76,;-1.74,9.76,;-2.51,8.42,;-1.74,7.09,;2.69,4.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596994
(US11596639, Example 591)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2cc(C(O)=O)n(C)c12)C(=O)N1CCOCC1 |r,wD:1.0,(-2.87,5.53,;-2.87,3.99,;-1.34,4.15,;-.44,2.91,;-1.06,1.5,;-.17,.25,;-2.59,1.34,;-3.5,.09,;-3.03,-1.37,;-1.52,-1.7,;-1.04,-3.16,;.47,-3.49,;.96,-4.95,;2.47,-5.22,;3,-6.67,;4.51,-6.99,;2.01,-7.85,;2.48,-9.31,;.49,-7.58,;-.48,-8.78,;-.03,-6.13,;-4.96,.57,;-6.3,-.2,;-7.63,.57,;-7.63,2.11,;-9,2.81,;-6.3,2.88,;-6.3,4.42,;-7.54,5.32,;-9.01,4.85,;-7.07,6.79,;-5.53,6.79,;-4.76,8.12,;-5.05,5.32,;-3.59,4.85,;-4.96,2.11,;-3.5,2.58,;1.1,3.05,;1.99,1.8,;3.52,1.95,;4.16,3.35,;3.27,4.6,;3.6,6.11,;2.27,6.89,;2.12,8.42,;3.38,9.31,;.72,9.06,;1.12,5.87,;-.38,6.2,;1.73,4.45,;4.42,.69,;3.78,-.71,;5.95,.84,;6.88,-.39,;8.41,-.2,;9.01,1.22,;8.08,2.45,;6.55,2.26,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596995
(US11596639, Example 592)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3cccc(C)n3)c12 |r,wD:1.0,(-1.92,4.42,;-1.92,2.88,;-.39,3.04,;.52,1.8,;-.11,.39,;.78,-.86,;-1.64,.23,;-2.55,-1.02,;-2.07,-2.48,;-.57,-2.81,;-.08,-4.27,;1.42,-4.6,;1.91,-6.06,;3.42,-6.33,;3.95,-7.78,;5.46,-8.1,;2.96,-8.96,;3.43,-10.42,;1.44,-8.69,;.48,-9.89,;.92,-7.24,;-4.01,-.54,;-5.35,-1.31,;-6.68,-.54,;-6.68,1,;-8.05,1.71,;-5.35,1.77,;-5.35,3.31,;-6.59,4.21,;-8.06,3.74,;-6.12,5.68,;-4.58,5.68,;-3.81,7.01,;-4.1,4.21,;-2.64,3.74,;-4.01,1,;-2.55,1.47,;2.05,1.94,;2.94,.69,;4.48,.84,;5.37,-.42,;6.9,-.27,;7.8,-1.52,;7.16,-2.92,;5.63,-3.07,;8.06,-4.18,;5.11,2.24,;4.22,3.49,;4.55,5,;3.23,5.78,;3.08,7.31,;4.33,8.2,;1.67,7.95,;2.07,4.76,;.57,5.09,;-.2,6.42,;-1.74,6.42,;-2.51,7.76,;-1.74,9.09,;-.2,9.09,;.57,10.42,;.57,7.76,;2.69,3.34,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596996
(US11596639, Example 593)Show SMILES COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc12)C(O)=O |r,wD:8.8,(7.67,3.79,;7.03,2.39,;5.5,2.24,;4.86,.84,;3.33,.69,;2.43,1.94,;.9,1.8,;-0,3.04,;-1.54,2.88,;-1.54,4.42,;-2.16,1.47,;-1.26,.23,;-2.16,-1.02,;-1.69,-2.48,;-.18,-2.81,;.3,-4.27,;1.81,-4.6,;2.29,-6.06,;3.81,-6.33,;4.34,-7.78,;5.84,-8.1,;3.35,-8.96,;3.82,-10.42,;1.83,-8.69,;.86,-9.89,;1.3,-7.24,;-3.63,-.54,;-4.96,-1.31,;-6.29,-.54,;-6.29,1,;-7.66,1.71,;-4.96,1.77,;-4.96,3.31,;-6.21,4.21,;-7.67,3.74,;-5.73,5.68,;-4.19,5.68,;-3.42,7.01,;-3.71,4.21,;-2.25,3.74,;-3.63,1,;.27,.39,;1.17,-.86,;3.07,3.34,;2.46,4.76,;.95,5.09,;.18,6.42,;-1.36,6.42,;-2.13,7.76,;-1.36,9.09,;.18,9.09,;.95,10.42,;.95,7.76,;3.61,5.78,;4.94,5,;4.61,3.49,;3.46,7.31,;4.72,8.2,;2.06,7.95,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596997
(US11596639, Example 594)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)ncnc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.57,9.39,;-.1,7.92,;1.4,7.59,;1.86,6.12,;3.37,5.79,;4.52,6.81,;5.85,6.03,;5.51,4.52,;6.41,3.27,;5.77,1.87,;6.67,.62,;4.24,1.72,;3.34,2.98,;1.81,2.83,;.91,4.07,;-.63,3.91,;-.63,5.45,;-1.25,2.51,;-.35,1.26,;-1.25,.02,;-.78,-1.45,;.73,-1.78,;1.21,-3.24,;2.72,-3.57,;3.2,-5.03,;4.72,-5.3,;5.25,-6.75,;6.75,-7.07,;4.26,-7.93,;4.73,-9.39,;2.74,-7.66,;1.77,-8.86,;2.21,-6.21,;-2.72,.49,;-4.05,-.28,;-5.38,.49,;-5.38,2.03,;-6.75,2.74,;-4.05,2.8,;-4.05,4.34,;-2.72,5.11,;-1.38,4.34,;-2.72,6.65,;-4.05,7.42,;-5.38,6.65,;-5.38,5.11,;-6.72,4.34,;-2.72,2.03,;1.18,1.42,;2.08,.17,;3.98,4.38,;4.37,8.34,;5.63,9.24,;2.97,8.98,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596998
(US11596639, Example 595)Show SMILES COCCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:11.11,(7.42,-4.47,;8.06,-3.07,;7.16,-1.81,;7.8,-.41,;6.9,.84,;5.37,.69,;4.48,1.95,;2.94,1.8,;2.05,3.05,;.52,2.91,;-.39,4.15,;-1.92,3.99,;-1.92,5.53,;-2.55,2.58,;-1.64,1.34,;-2.55,.09,;-2.07,-1.37,;-.57,-1.7,;-.08,-3.16,;1.42,-3.49,;1.91,-4.95,;3.42,-5.22,;3.95,-6.67,;5.46,-6.99,;2.96,-7.85,;3.43,-9.31,;1.44,-7.58,;.48,-8.78,;.92,-6.13,;-4.01,.57,;-5.35,-.2,;-6.68,.57,;-6.68,2.11,;-8.05,2.81,;-5.35,2.88,;-5.35,4.42,;-6.59,5.32,;-8.06,4.85,;-6.12,6.79,;-4.58,6.79,;-3.81,8.12,;-4.1,5.32,;-2.64,4.85,;-4.01,2.11,;-.11,1.5,;.78,.25,;2.69,4.45,;2.07,5.87,;.57,6.2,;3.23,6.89,;4.55,6.11,;4.22,4.6,;5.11,3.35,;3.08,8.42,;4.33,9.31,;1.67,9.06,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596999
(US11596639, Example 596)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC(=O)N(C)C)c12 |r,wD:1.0,(-.62,5.53,;-.62,3.99,;.91,4.15,;1.82,2.91,;1.19,1.5,;2.08,.25,;-.34,1.34,;-1.25,.09,;-.78,-1.37,;.73,-1.7,;1.22,-3.16,;2.72,-3.49,;3.21,-4.95,;4.72,-5.22,;5.25,-6.67,;6.76,-6.99,;4.26,-7.85,;4.73,-9.31,;2.74,-7.58,;1.78,-8.78,;2.22,-6.13,;-2.71,.57,;-4.05,-.2,;-5.38,.57,;-5.38,2.11,;-6.75,2.81,;-4.05,2.88,;-4.05,4.42,;-5.29,5.32,;-6.76,4.85,;-4.82,6.79,;-3.28,6.79,;-2.51,8.12,;-2.8,5.32,;-1.34,4.85,;-2.71,2.11,;-1.25,2.58,;3.35,3.05,;4.24,1.8,;5.78,1.95,;6.67,.69,;6.41,3.35,;5.52,4.6,;5.85,6.11,;4.52,6.89,;4.38,8.42,;5.63,9.31,;2.97,9.06,;3.37,5.87,;1.87,6.2,;1.1,7.53,;1.87,8.87,;-.44,7.53,;-1.21,8.87,;-1.21,6.2,;3.99,4.45,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597000
(US11596639, Example 598)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC(=O)N3CCOCC3)c12 |r,wD:1.0,(-.62,4.78,;-.62,3.24,;.91,3.4,;1.82,2.15,;1.19,.75,;2.08,-.51,;-.34,.59,;-1.25,-.66,;-.78,-2.13,;.73,-2.45,;1.22,-3.92,;2.72,-4.24,;3.21,-5.71,;4.72,-5.97,;5.25,-7.42,;6.76,-7.74,;4.26,-8.6,;4.73,-10.07,;2.74,-8.33,;1.78,-9.53,;2.22,-6.88,;-2.71,-.18,;-4.05,-.95,;-5.38,-.18,;-5.38,1.36,;-6.75,2.06,;-4.05,2.13,;-4.05,3.67,;-5.29,4.57,;-6.76,4.1,;-4.82,6.04,;-3.28,6.04,;-2.51,7.37,;-2.8,4.57,;-1.34,4.1,;-2.71,1.36,;-1.25,1.83,;3.35,2.3,;4.24,1.05,;5.78,1.19,;6.67,-.06,;6.41,2.6,;5.52,3.85,;5.85,5.35,;4.52,6.13,;4.38,7.67,;5.86,8.07,;3.72,9.06,;3.37,5.11,;1.87,5.45,;1.87,6.99,;2.64,8.32,;.53,7.76,;.53,9.3,;-.8,10.07,;-2.13,9.3,;-2.13,7.76,;-.8,6.99,;3.99,3.7,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597001
(US11596639, Example 599)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(C)cc(C)n3)c12 |r,wD:1.0,(-.62,4.42,;-.62,2.88,;.91,3.04,;1.82,1.8,;1.19,.39,;2.08,-.86,;-.34,.23,;-1.25,-1.02,;-.78,-2.48,;.73,-2.81,;1.22,-4.27,;2.72,-4.6,;3.21,-6.06,;4.72,-6.33,;5.25,-7.78,;6.76,-8.1,;4.26,-8.96,;4.73,-10.42,;2.74,-8.69,;1.78,-9.89,;2.22,-7.24,;-2.71,-.54,;-4.05,-1.31,;-5.38,-.54,;-5.38,1,;-6.75,1.71,;-4.05,1.77,;-4.05,3.31,;-5.29,4.21,;-6.76,3.74,;-4.82,5.68,;-3.28,5.68,;-2.51,7.01,;-2.8,4.21,;-1.34,3.74,;-2.71,1,;-1.25,1.47,;3.35,1.94,;4.24,.69,;5.78,.84,;6.67,-.42,;6.41,2.24,;5.52,3.49,;5.85,5,;4.52,5.78,;4.38,7.31,;5.63,8.2,;2.97,7.95,;3.37,4.76,;1.87,5.09,;1.1,6.42,;-.44,6.42,;-1.21,7.76,;-2.75,7.76,;-.44,9.09,;1.1,9.09,;1.87,10.42,;1.87,7.76,;3.99,3.34,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597002
(US11596639, Example 600)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)C3=NCCO3)c12 |r,wD:1.0,t:62,(-.45,3.48,;-.45,1.94,;1.09,1.94,;1.86,.61,;1.09,-.64,;1.86,-1.98,;-.32,-.63,;-1.23,-1.88,;-.83,-3.37,;.66,-3.77,;1.08,-5.25,;2.57,-5.65,;2.95,-7.14,;4.44,-7.54,;4.84,-9.02,;6.34,-9.36,;3.75,-10.11,;4.15,-11.6,;2.26,-9.71,;1.18,-10.81,;1.86,-8.23,;-2.69,-1.4,;-4.02,-2.17,;-5.36,-1.4,;-5.36,.14,;-6.74,.83,;-4.02,.91,;-3.97,2.45,;-5.21,3.35,;-6.65,2.79,;-4.74,4.82,;-3.2,4.82,;-2.34,6.1,;-2.72,3.35,;-1.25,2.9,;-2.69,.14,;-1.22,.61,;3.39,.72,;4.3,-.53,;5.83,-.36,;6.74,-1.61,;6.46,1.04,;5.55,2.29,;5.87,3.79,;4.54,4.56,;4.42,6.1,;5.69,6.97,;3.02,6.74,;3.39,3.53,;1.89,3.88,;1.11,5.21,;1.88,6.54,;1.11,7.87,;-.43,7.87,;-1.2,6.54,;-.43,5.21,;1.84,9.23,;3.38,9.23,;3.86,10.69,;2.61,11.6,;1.37,10.69,;4.02,2.13,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597008
(US11596639, Example 607)Show SMILES COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:8.8,(7.98,-.24,;7.05,.98,;5.52,.78,;4.58,2,;3.06,1.8,;2.12,3.02,;.59,2.86,;-.32,4.11,;-1.85,3.95,;-1.85,5.49,;-2.48,2.54,;-1.57,1.29,;-2.48,.05,;-2,-1.42,;-.5,-1.75,;-.01,-3.21,;1.49,-3.54,;1.98,-5,;3.5,-5.27,;4.02,-6.71,;5.53,-7.03,;3.03,-7.89,;3.5,-9.36,;1.52,-7.62,;.55,-8.82,;.99,-6.18,;-3.94,.52,;-5.27,-.25,;-6.61,.52,;-6.61,2.06,;-7.98,2.77,;-5.27,2.83,;-5.27,4.37,;-6.52,5.28,;-7.98,4.8,;-6.04,6.74,;-4.5,6.74,;-3.73,8.08,;-4.03,5.28,;-2.56,4.8,;-3.94,2.06,;-.04,1.45,;.86,.2,;2.71,4.44,;2.05,5.84,;.53,6.12,;3.16,6.89,;4.52,6.16,;4.24,4.65,;5.17,3.42,;2.96,8.42,;4.19,9.36,;1.54,9.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597011
(US11596639, Example 610)Show SMILES CCOCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)cc(C(O)=O)c2c1 |r,wD:11.11,(7.57,-4.87,;8.16,-3.44,;7.22,-2.22,;5.69,-2.42,;4.76,-1.2,;5.35,.22,;4.41,1.44,;2.88,1.24,;1.95,2.47,;.41,2.3,;-.49,3.55,;-2.02,3.39,;-2.02,4.93,;-2.65,1.98,;-1.74,.74,;-2.65,-.51,;-2.18,-1.97,;-.67,-2.3,;-.18,-3.76,;1.32,-4.09,;1.81,-5.55,;3.32,-5.82,;3.85,-7.27,;5.36,-7.59,;2.86,-8.45,;3.33,-9.92,;1.34,-8.18,;.37,-9.38,;.82,-6.73,;-4.11,-.03,;-5.45,-.8,;-6.78,-.03,;-6.78,1.51,;-8.15,2.21,;-5.45,2.28,;-5.45,3.82,;-6.69,4.72,;-8.16,4.25,;-6.22,6.19,;-4.68,6.19,;-3.91,7.52,;-4.2,4.72,;-2.74,4.25,;-4.11,1.51,;-.21,.9,;.68,-.36,;2.54,3.89,;1.87,5.28,;.36,5.56,;-.15,7.01,;.85,8.18,;.33,9.63,;-1.18,9.92,;-2.18,8.74,;-1.67,7.29,;2.99,6.34,;4.34,5.6,;5.73,6.27,;5.85,7.8,;7,5.39,;4.06,4.09,;5,2.87,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597015
(US11596639, Example 614)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCCN(C)C)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.79,5.49,;-2.79,3.95,;-1.25,4.11,;-.35,2.86,;-.98,1.45,;-.08,.2,;-2.51,1.29,;-3.41,.05,;-2.94,-1.42,;-1.44,-1.75,;-.95,-3.21,;.56,-3.54,;1.04,-5,;2.56,-5.27,;3.09,-6.71,;4.59,-7.03,;2.09,-7.89,;2.57,-9.36,;.58,-7.62,;-.39,-8.82,;.05,-6.18,;-4.88,.52,;-6.21,-.25,;-7.54,.52,;-7.54,2.06,;-8.91,2.77,;-6.21,2.83,;-6.21,4.37,;-7.46,5.28,;-8.92,4.8,;-6.98,6.74,;-5.44,6.74,;-4.67,8.08,;-4.96,5.28,;-3.5,4.8,;-4.88,2.06,;-3.41,2.54,;1.18,3.02,;2.12,1.8,;3.65,2,;4.58,.78,;6.11,.98,;7.05,-.24,;6.46,-1.67,;7.39,-2.89,;6.8,-4.31,;8.92,-2.69,;4.24,3.42,;3.3,4.65,;3.58,6.16,;2.23,6.89,;2.03,8.42,;3.25,9.36,;.6,9.01,;1.11,5.84,;-.4,6.12,;1.77,4.44,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597017
(US11596639, Example 616)Show SMILES C[C@@H]1CN(c2cn(CC3(C)COC3)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.75,5.36,;-1.75,3.82,;-.22,3.98,;.69,2.73,;2.22,2.89,;3.28,1.77,;4.67,2.44,;6,1.67,;6,.13,;4.67,-.64,;6.4,-1.36,;7.89,-.96,;7.49,.53,;4.47,3.96,;5.47,5.13,;4.95,6.59,;3.44,6.87,;2.44,5.7,;2.95,4.24,;2.93,8.32,;3.93,9.49,;1.41,8.6,;.06,1.32,;.95,.07,;-1.47,1.16,;-2.38,-.08,;-1.9,-1.55,;-.4,-1.88,;.09,-3.34,;1.59,-3.67,;2.08,-5.13,;3.59,-5.4,;4.12,-6.84,;5.63,-7.16,;3.13,-8.02,;3.6,-9.49,;1.61,-7.76,;.65,-8.95,;1.09,-6.31,;-3.84,.39,;-5.18,-.38,;-6.51,.39,;-6.51,1.93,;-7.88,2.64,;-5.18,2.7,;-5.18,4.24,;-6.42,5.15,;-7.89,4.67,;-5.95,6.61,;-4.41,6.61,;-3.64,7.95,;-3.93,5.15,;-2.47,4.67,;-3.84,1.93,;-2.38,2.41,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597018
(US11596639, Example 617)Show SMILES COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)cc(C(O)=O)c12 |r,wD:8.8,(7.81,1.85,;6.87,3.07,;5.35,2.87,;4.76,1.44,;3.23,1.24,;2.29,2.47,;.76,2.3,;-.14,3.55,;-1.68,3.39,;-1.68,4.93,;-2.3,1.98,;-1.4,.74,;-2.3,-.51,;-1.83,-1.97,;-.32,-2.3,;.16,-3.76,;1.67,-4.09,;2.15,-5.55,;3.67,-5.82,;4.2,-7.27,;5.7,-7.59,;3.21,-8.45,;3.68,-9.92,;1.69,-8.18,;.72,-9.38,;1.16,-6.73,;-3.77,-.03,;-5.1,-.8,;-6.43,-.03,;-6.43,1.51,;-7.8,2.21,;-5.1,2.28,;-5.1,3.82,;-6.35,4.72,;-7.81,4.25,;-5.87,6.19,;-4.33,6.19,;-3.56,7.52,;-3.85,4.72,;-2.39,4.25,;-3.77,1.51,;.13,.9,;1.03,-.36,;2.88,3.89,;2.22,5.28,;.71,5.56,;.19,7.01,;1.19,8.18,;.68,9.63,;-.83,9.92,;-1.84,8.74,;-1.32,7.29,;3.34,6.34,;4.69,5.6,;6.08,6.27,;6.2,7.8,;7.35,5.39,;4.41,4.09,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
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