Found 240 hits with Last Name = 'arteaga' and Initial = 'cl' 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)) | BDBM429076
(US10533010, Example I-174 | US11208415, Example I-...)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(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-28-29-10-11-31(40)34(33-23(4)42-44(7)24(33)5)36(29)46-22(3)19-45(38(47)37(28)46)25-17-30(39(48)49)27-12-13-43(6)32(27)18-25/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(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
| 0.210 | 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)) | 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
| 0.25 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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
| 0.25 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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
| 0.25 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM50521467
(CHEMBL4525487 | US11596639, Example 63)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)c1cccc2c(cccc12)C(O)=O |r,wD:1.0,(77,-4.92,;77.91,-6.17,;79.44,-6.01,;80.35,-7.25,;79.72,-8.66,;80.62,-9.91,;78.2,-8.82,;77.29,-10.07,;77.27,-11.6,;78.6,-12.39,;78.59,-13.93,;79.91,-14.71,;79.9,-16.25,;81.22,-17.02,;81.21,-18.56,;82.55,-19.34,;79.86,-19.33,;79.85,-20.87,;78.54,-18.54,;77.2,-19.3,;78.55,-17,;75.82,-9.59,;74.49,-10.37,;73.16,-9.6,;73.16,-8.06,;71.82,-7.29,;74.49,-7.29,;74.48,-4.39,;73.23,-3.49,;71.76,-3.97,;73.7,-2.02,;75.24,-2.02,;76.14,-.77,;75.72,-3.48,;77.19,-3.95,;75.82,-8.05,;77.29,-7.57,;81.89,-7.25,;82.64,-5.92,;84.17,-5.91,;84.96,-7.24,;84.2,-8.56,;84.98,-9.87,;84.23,-11.21,;82.69,-11.23,;81.91,-9.91,;82.66,-8.57,;86.52,-9.85,;87.3,-11.18,;87.27,-8.51,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-21-18-26(19-22(2)36(21)42)50-17-9-13-29-30-15-16-32(41)35(34-24(4)43-44(6)25(34)5)37(30)46-23(3)20-45(39(47)38(29)46)33-14-8-10-27-28(33)11-7-12-31(27)40(48)49/h7-8,10-12,14-16,18-19,23H,9,13,17,20H2,1-6H3,(H,48,49)/t23-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.330 | 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)) | 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
| 0.380 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM50521468
(CHEMBL4524392 | US11596639, Example 33)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(cc2OCOc12)C(O)=O |r,wD:1.0,(55.68,-4.87,;56.59,-6.12,;58.12,-5.96,;59.03,-7.21,;58.4,-8.61,;59.3,-9.86,;56.88,-8.77,;55.97,-10.02,;55.95,-11.56,;57.28,-12.34,;57.27,-13.88,;58.59,-14.66,;58.58,-16.2,;59.9,-16.98,;59.89,-18.51,;61.23,-19.29,;58.54,-19.28,;58.53,-20.82,;57.22,-18.49,;55.88,-19.25,;57.23,-16.96,;54.5,-9.55,;53.17,-10.33,;51.84,-9.56,;51.84,-8.01,;50.5,-7.24,;53.17,-7.24,;53.16,-4.34,;51.91,-3.44,;50.44,-3.92,;52.38,-1.98,;53.92,-1.97,;54.82,-.72,;54.4,-3.44,;55.87,-3.91,;54.5,-8,;55.97,-7.53,;60.57,-7.2,;61.32,-5.87,;62.85,-5.86,;63.64,-7.2,;62.88,-8.52,;63.36,-9.97,;62.13,-10.88,;60.88,-9.99,;61.34,-8.53,;63.62,-4.52,;62.84,-3.2,;65.16,-4.51,)| Show InChI InChI=1S/C37H36Cl2N4O6/c1-18-12-24(13-19(2)32(18)39)47-11-7-8-25-26-9-10-27(38)31(30-21(4)40-41(6)22(30)5)33(26)43-20(3)16-42(36(44)34(25)43)28-14-23(37(45)46)15-29-35(28)49-17-48-29/h9-10,12-15,20H,7-8,11,16-17H2,1-6H3,(H,45,46)/t20-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | 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)) | BDBM429057
(US10533010, Example I-154 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2ccc(cc2)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,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.770 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50521467
(CHEMBL4525487 | US11596639, Example 63)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)c1cccc2c(cccc12)C(O)=O |r,wD:1.0,(77,-4.92,;77.91,-6.17,;79.44,-6.01,;80.35,-7.25,;79.72,-8.66,;80.62,-9.91,;78.2,-8.82,;77.29,-10.07,;77.27,-11.6,;78.6,-12.39,;78.59,-13.93,;79.91,-14.71,;79.9,-16.25,;81.22,-17.02,;81.21,-18.56,;82.55,-19.34,;79.86,-19.33,;79.85,-20.87,;78.54,-18.54,;77.2,-19.3,;78.55,-17,;75.82,-9.59,;74.49,-10.37,;73.16,-9.6,;73.16,-8.06,;71.82,-7.29,;74.49,-7.29,;74.48,-4.39,;73.23,-3.49,;71.76,-3.97,;73.7,-2.02,;75.24,-2.02,;76.14,-.77,;75.72,-3.48,;77.19,-3.95,;75.82,-8.05,;77.29,-7.57,;81.89,-7.25,;82.64,-5.92,;84.17,-5.91,;84.96,-7.24,;84.2,-8.56,;84.98,-9.87,;84.23,-11.21,;82.69,-11.23,;81.91,-9.91,;82.66,-8.57,;86.52,-9.85,;87.3,-11.18,;87.27,-8.51,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-21-18-26(19-22(2)36(21)42)50-17-9-13-29-30-15-16-32(41)35(34-24(4)43-44(6)25(34)5)37(30)46-23(3)20-45(39(47)38(29)46)33-14-8-10-27-28(33)11-7-12-31(27)40(48)49/h7-8,10-12,14-16,18-19,23H,9,13,17,20H2,1-6H3,(H,48,49)/t23-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.770 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM429055
(US10533010, Example I-152 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2ccc(o2)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,(-2.21,6.92,;-1.82,5.43,;-.28,5.59,;.62,4.35,;2.11,4.74,;3.2,3.66,;2.96,2.13,;4.33,1.44,;5.46,2.52,;4.72,3.9,;6.98,2.28,;7.95,3.47,;7.53,.84,;-.01,2.94,;.76,1.61,;-1.54,2.78,;-2.44,1.53,;-2.04,.04,;-3.16,-1.01,;-2.81,-2.51,;-3.93,-3.57,;-3.57,-5.07,;-4.7,-6.12,;-4.34,-7.62,;-5.46,-8.68,;-2.87,-8.06,;-2.51,-9.56,;-1.74,-7.01,;-.27,-7.45,;-2.1,-5.51,;-3.91,2.01,;-5.24,1.24,;-6.57,2.01,;-6.57,3.55,;-7.91,4.32,;-5.24,4.32,;-5.24,5.86,;-3.99,6.76,;-2.66,5.99,;-4.47,8.23,;-6.01,8.23,;-6.78,9.56,;-6.49,6.76,;-7.82,5.99,;-3.91,3.55,;-2.44,4.02,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-20(3)16-40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429058
(US10533010, Example I-155 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2cccc(c2)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,(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429074
(US10533010, Example I-172 | US11208415, Example I-...)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)c1ccc(cc1)C(O)=O |r,wD:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-19-16-26(17-20(2)32(19)38)46-15-7-8-27-28-13-14-29(37)31(30-22(4)39-40(6)23(30)5)33(28)42-21(3)18-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,16-17,21H,7-8,15,18H2,1-6H3,(H,44,45)/t21-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)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(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(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
| 1.30 | 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)) | BDBM50521468
(CHEMBL4524392 | US11596639, Example 33)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(cc2OCOc12)C(O)=O |r,wD:1.0,(55.68,-4.87,;56.59,-6.12,;58.12,-5.96,;59.03,-7.21,;58.4,-8.61,;59.3,-9.86,;56.88,-8.77,;55.97,-10.02,;55.95,-11.56,;57.28,-12.34,;57.27,-13.88,;58.59,-14.66,;58.58,-16.2,;59.9,-16.98,;59.89,-18.51,;61.23,-19.29,;58.54,-19.28,;58.53,-20.82,;57.22,-18.49,;55.88,-19.25,;57.23,-16.96,;54.5,-9.55,;53.17,-10.33,;51.84,-9.56,;51.84,-8.01,;50.5,-7.24,;53.17,-7.24,;53.16,-4.34,;51.91,-3.44,;50.44,-3.92,;52.38,-1.98,;53.92,-1.97,;54.82,-.72,;54.4,-3.44,;55.87,-3.91,;54.5,-8,;55.97,-7.53,;60.57,-7.2,;61.32,-5.87,;62.85,-5.86,;63.64,-7.2,;62.88,-8.52,;63.36,-9.97,;62.13,-10.88,;60.88,-9.99,;61.34,-8.53,;63.62,-4.52,;62.84,-3.2,;65.16,-4.51,)| Show InChI InChI=1S/C37H36Cl2N4O6/c1-18-12-24(13-19(2)32(18)39)47-11-7-8-25-26-9-10-27(38)31(30-21(4)40-41(6)22(30)5)33(26)43-20(3)16-42(36(44)34(25)43)28-14-23(37(45)46)15-29-35(28)49-17-48-29/h9-10,12-15,20H,7-8,11,16-17H2,1-6H3,(H,45,46)/t20-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM429073
(US10533010, Example I-171 | US11208415, Example I-...)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)c1cccc(c1)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,4.99,;5.03,4.99,;5.8,3.66,;5.06,2.28,;3.49,2.33,;5.83,.94,;5.06,-.39,;7.37,.95,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-19-15-26(16-20(2)32(19)38)46-14-8-11-27-28-12-13-29(37)31(30-22(4)39-40(6)23(30)5)33(28)42-21(3)18-41(35(43)34(27)42)25-10-7-9-24(17-25)36(44)45/h7,9-10,12-13,15-17,21H,8,11,14,18H2,1-6H3,(H,44,45)/t21-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | 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)) | BDBM429076
(US10533010, Example I-174 | US11208415, Example I-...)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(O)=O)c2ccn(C)c2c1 |r,wD:1.0,(-1.71,6.23,;-1.32,4.75,;.22,4.91,;1.12,3.66,;.49,2.25,;1.26,.92,;-1.04,2.09,;-1.94,.85,;-1.54,-.64,;-.06,-1.04,;.34,-2.53,;1.83,-2.93,;2.23,-4.41,;3.72,-4.81,;4.11,-6.3,;5.6,-6.7,;3.03,-7.39,;3.42,-8.88,;1.54,-6.99,;.45,-8.08,;1.14,-5.5,;-3.41,1.32,;-4.74,.55,;-6.07,1.32,;-6.07,2.86,;-7.41,3.63,;-4.74,3.63,;-4.74,5.17,;-3.49,6.08,;-2.16,5.31,;-3.97,7.54,;-5.51,7.54,;-6.28,8.88,;-5.99,6.08,;-7.32,5.31,;-3.41,2.86,;-1.94,3.34,;2.66,3.66,;3.43,2.33,;4.97,2.33,;5.74,.99,;4.97,-.34,;7.28,.99,;5.74,3.66,;7.25,3.98,;7.41,5.51,;6,6.14,;5.6,7.63,;4.97,4.99,;3.43,4.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-28-29-10-11-31(40)34(33-23(4)42-44(7)24(33)5)36(29)46-22(3)19-45(38(47)37(28)46)25-17-30(39(48)49)27-12-13-43(6)32(27)18-25/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(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
| 1.5 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM50521469
(CHEMBL4584487 | US11596639, Example 212)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,wU:1.0,(21.3,-45.12,;22.21,-46.36,;23.75,-46.2,;24.65,-47.45,;26.19,-47.44,;27.09,-46.19,;28.56,-46.66,;29.8,-45.75,;28.56,-48.2,;29.7,-49.21,;29.4,-50.71,;27.93,-51.2,;26.79,-50.18,;27.1,-48.68,;27.62,-52.71,;28.77,-53.73,;26.16,-53.19,;24.02,-48.86,;24.93,-50.1,;22.5,-49.02,;21.59,-50.27,;21.58,-51.8,;22.9,-52.58,;22.89,-54.12,;24.21,-54.91,;24.2,-56.45,;25.52,-57.22,;25.51,-58.75,;26.85,-59.53,;24.17,-59.52,;24.15,-61.06,;22.84,-58.74,;21.5,-59.49,;22.85,-57.2,;20.12,-49.79,;18.79,-50.57,;17.46,-49.8,;17.46,-48.25,;16.12,-47.48,;18.79,-47.48,;18.78,-44.59,;17.53,-43.69,;16.07,-44.17,;18,-42.22,;19.54,-42.21,;20.44,-40.97,;20.02,-43.68,;21.49,-44.15,;20.12,-48.25,;21.59,-47.77,)| 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-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | 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)) | BDBM429023
(US10533010, Example I-120 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429024
(US10533010, Example I-121 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wU:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429073
(US10533010, Example I-171 | US11208415, Example I-...)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)c1cccc(c1)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,4.99,;5.03,4.99,;5.8,3.66,;5.06,2.28,;3.49,2.33,;5.83,.94,;5.06,-.39,;7.37,.95,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-19-15-26(16-20(2)32(19)38)46-14-8-11-27-28-12-13-29(37)31(30-22(4)39-40(6)23(30)5)33(28)42-21(3)18-41(35(43)34(27)42)25-10-7-9-24(17-25)36(44)45/h7,9-10,12-13,15-17,21H,8,11,14,18H2,1-6H3,(H,44,45)/t21-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM50244173
(CHEMBL4064491 | US10533010, Example I-103 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCCn3c12 |(9.86,-24.76,;8.39,-24.29,;7.91,-22.83,;6.37,-22.83,;5.46,-21.59,;5.9,-24.3,;4.44,-24.78,;7.15,-25.2,;7.16,-26.75,;5.83,-27.52,;4.5,-26.75,;5.83,-29.06,;7.16,-29.83,;8.5,-29.06,;9.97,-29.54,;10.45,-31,;11.95,-31.32,;12.43,-32.79,;13.94,-33.11,;14.41,-34.57,;15.91,-34.89,;16.39,-36.34,;17.9,-36.66,;15.36,-37.5,;15.84,-38.96,;13.85,-37.18,;12.82,-38.32,;13.38,-35.71,;10.88,-28.28,;12.44,-28.35,;13.05,-29.76,;13.46,-27.17,;14.94,-27.57,;16.03,-26.48,;15.79,-24.96,;17.16,-24.26,;18.25,-25.35,;17.55,-26.73,;19.77,-25.12,;20.33,-23.68,;20.74,-26.31,;13.17,-25.64,;11.8,-24.91,;10.38,-25.53,;9.97,-27.03,;8.49,-27.51,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-19-16-24(17-20(2)31(19)37)45-15-6-8-25-26-10-11-27(36)30(29-21(3)38-39(5)22(29)4)32(26)41-14-7-13-40(34(42)33(25)41)18-23-9-12-28(46-23)35(43)44/h9-12,16-17H,6-8,13-15,18H2,1-5H3,(H,43,44) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50244174
(CHEMBL4087084 | US10533010, Example I-87 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCCn3c12 |(70.5,-25.21,;69.03,-24.74,;68.55,-23.28,;67.01,-23.28,;66.11,-22.04,;66.54,-24.75,;65.08,-25.23,;67.79,-25.65,;67.8,-27.2,;66.47,-27.97,;65.14,-27.2,;66.47,-29.51,;67.8,-30.28,;69.14,-29.51,;70.61,-29.99,;71.09,-31.46,;72.59,-31.78,;73.07,-33.24,;74.58,-33.56,;75.05,-35.02,;76.55,-35.34,;77.03,-36.8,;78.54,-37.11,;76,-37.95,;76.48,-39.41,;74.49,-37.63,;73.46,-38.77,;74.02,-36.17,;71.52,-28.73,;73.08,-28.8,;73.69,-30.21,;74.1,-27.62,;75.58,-28.02,;76.68,-26.93,;78.16,-27.34,;79.25,-26.25,;78.86,-24.76,;77.36,-24.36,;76.28,-25.45,;79.95,-23.67,;79.55,-22.19,;81.43,-24.07,;73.81,-26.09,;72.44,-25.36,;71.02,-25.98,;70.61,-27.48,;69.14,-27.96,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-21-18-27(19-22(2)33(21)39)47-17-6-8-28-29-13-14-30(38)32(31-23(3)40-41(5)24(31)4)34(29)43-16-7-15-42(36(44)35(28)43)20-25-9-11-26(12-10-25)37(45)46/h9-14,18-19H,6-8,15-17,20H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50244174
(CHEMBL4087084 | US10533010, Example I-87 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCCn3c12 |(70.5,-25.21,;69.03,-24.74,;68.55,-23.28,;67.01,-23.28,;66.11,-22.04,;66.54,-24.75,;65.08,-25.23,;67.79,-25.65,;67.8,-27.2,;66.47,-27.97,;65.14,-27.2,;66.47,-29.51,;67.8,-30.28,;69.14,-29.51,;70.61,-29.99,;71.09,-31.46,;72.59,-31.78,;73.07,-33.24,;74.58,-33.56,;75.05,-35.02,;76.55,-35.34,;77.03,-36.8,;78.54,-37.11,;76,-37.95,;76.48,-39.41,;74.49,-37.63,;73.46,-38.77,;74.02,-36.17,;71.52,-28.73,;73.08,-28.8,;73.69,-30.21,;74.1,-27.62,;75.58,-28.02,;76.68,-26.93,;78.16,-27.34,;79.25,-26.25,;78.86,-24.76,;77.36,-24.36,;76.28,-25.45,;79.95,-23.67,;79.55,-22.19,;81.43,-24.07,;73.81,-26.09,;72.44,-25.36,;71.02,-25.98,;70.61,-27.48,;69.14,-27.96,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-21-18-27(19-22(2)33(21)39)47-17-6-8-28-29-13-14-30(38)32(31-23(3)40-41(5)24(31)4)34(29)43-16-7-15-42(36(44)35(28)43)20-25-9-11-26(12-10-25)37(45)46/h9-14,18-19H,6-8,15-17,20H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) in presence of 1% fetal bovine serum by fluorescence p... |
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)) | BDBM429074
(US10533010, Example I-172 | US11208415, Example I-...)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)c1ccc(cc1)C(O)=O |r,wD:1.0,(-2.04,6.23,;-1.64,4.75,;-.11,4.91,;.8,3.66,;.17,2.25,;.94,.92,;-1.36,2.09,;-2.26,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.91,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.22,-6.99,;.13,-8.08,;.82,-5.5,;-3.73,1.32,;-5.06,.55,;-6.4,1.32,;-6.4,2.86,;-7.73,3.63,;-5.06,3.63,;-5.06,5.17,;-3.82,6.08,;-2.48,5.31,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-3.73,2.86,;-2.26,3.34,;2.34,3.66,;3.11,2.33,;4.65,2.33,;5.47,3.66,;4.65,4.99,;3.11,4.99,;7.01,3.66,;7.78,2.33,;7.78,4.99,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-19-16-26(17-20(2)32(19)38)46-15-7-8-27-28-13-14-29(37)31(30-22(4)39-40(6)23(30)5)33(28)42-21(3)18-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,16-17,21H,7-8,15,18H2,1-6H3,(H,44,45)/t21-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM50244117
(CHEMBL4094779 | US10533010, Example I-80 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-21-17-27(18-22(2)33(21)39)47-16-7-11-28-29-12-13-30(38)32(31-23(3)40-41(5)24(31)4)34(29)43-15-8-14-42(36(44)35(28)43)20-25-9-6-10-26(19-25)37(45)46/h6,9-10,12-13,17-19H,7-8,11,14-16,20H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429046
(US10533010, Example I-143 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCn3c12 |(-2.3,5.08,;-3.64,5.85,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-4.88,4.95,;-4.88,3.41,;-6.22,2.64,;-7.55,3.41,;-6.22,1.1,;-4.88,.33,;-3.55,1.1,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-1.18,1.87,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-3.55,2.64,)| Show InChI InChI=1S/C34H34Cl2N4O5/c1-18-15-23(16-19(2)30(18)36)44-14-6-7-24-25-9-10-26(35)29(28-20(3)37-38(5)21(28)4)31(25)40-13-12-39(33(41)32(24)40)17-22-8-11-27(45-22)34(42)43/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429026
(US10533010, Example I-123 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wU:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-16-20(3)40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50521469
(CHEMBL4584487 | US11596639, Example 212)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,wU:1.0,(21.3,-45.12,;22.21,-46.36,;23.75,-46.2,;24.65,-47.45,;26.19,-47.44,;27.09,-46.19,;28.56,-46.66,;29.8,-45.75,;28.56,-48.2,;29.7,-49.21,;29.4,-50.71,;27.93,-51.2,;26.79,-50.18,;27.1,-48.68,;27.62,-52.71,;28.77,-53.73,;26.16,-53.19,;24.02,-48.86,;24.93,-50.1,;22.5,-49.02,;21.59,-50.27,;21.58,-51.8,;22.9,-52.58,;22.89,-54.12,;24.21,-54.91,;24.2,-56.45,;25.52,-57.22,;25.51,-58.75,;26.85,-59.53,;24.17,-59.52,;24.15,-61.06,;22.84,-58.74,;21.5,-59.49,;22.85,-57.2,;20.12,-49.79,;18.79,-50.57,;17.46,-49.8,;17.46,-48.25,;16.12,-47.48,;18.79,-47.48,;18.78,-44.59,;17.53,-43.69,;16.07,-44.17,;18,-42.22,;19.54,-42.21,;20.44,-40.97,;20.02,-43.68,;21.49,-44.15,;20.12,-48.25,;21.59,-47.77,)| 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-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 6.10 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM429030
(US10533010, Example I-127 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |(1.85,5.54,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-28(19-22(2)34(21)40)48-17-7-8-29-30-13-14-31(39)33(32-24(4)41-42(6)25(32)5)35(30)43-16-15-23(3)44(37(45)36(29)43)20-26-9-11-27(12-10-26)38(46)47/h9-14,18-19,23H,7-8,15-17,20H2,1-6H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429057
(US10533010, Example I-154 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2ccc(cc2)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,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) in presence of 1% fetal bovine serum by fluorescence p... |
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)) | BDBM429072
(US10533010, Example I-170 | US11208415, Example I-...)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(cc2n(C)ccc12)C(O)=O |r,wD:1.0,(-1.65,6.23,;-1.25,4.75,;.28,4.91,;1.18,3.66,;.56,2.25,;1.33,.92,;-.97,2.09,;-1.88,.85,;-1.48,-.64,;.01,-1.04,;.41,-2.53,;1.89,-2.93,;2.29,-4.41,;3.78,-4.81,;4.18,-6.3,;5.67,-6.7,;3.09,-7.39,;3.49,-8.88,;1.6,-6.99,;.51,-8.08,;1.2,-5.5,;-3.34,1.32,;-4.68,.55,;-6.01,1.32,;-6.01,2.86,;-7.34,3.63,;-4.68,3.63,;-4.68,5.17,;-3.43,6.08,;-2.1,5.31,;-3.91,7.54,;-5.45,7.54,;-6.22,8.88,;-5.92,6.08,;-7.26,5.31,;-3.34,2.86,;-1.88,3.34,;2.72,3.66,;3.49,2.33,;5.03,2.33,;5.8,3.66,;5.03,4.99,;5.51,6.46,;6.84,7.23,;4.26,7.36,;3.02,6.46,;3.49,4.99,;5.8,.99,;5.03,-.34,;7.34,.99,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-10-11-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)19-45(38(47)37(27)46)32-18-25(39(48)49)17-31-29(32)12-13-43(31)6/h10-13,15-18,22H,8-9,14,19H2,1-7H3,(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
| 6.80 | 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 in presence of 1% fetal bovine serum by TR-FR... |
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)) | BDBM429036
(US10533010, Example I-133 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-43(20-26-9-11-27(12-10-26)38(46)47)37(45)36-29(8-7-15-48-28-16-22(2)34(40)23(3)17-28)30-13-14-31(39)33(35(30)44(36)19-21)32-24(4)41-42(6)25(32)5/h9-14,16-17,21H,7-8,15,18-20H2,1-6H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.10 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429043
(US10533010, Example I-140 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(O)=O)CCn3c12 |(-1.3,4.2,;-2.64,4.97,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-3.88,4.06,;-3.88,2.52,;-5.22,1.75,;-6.55,2.52,;-5.22,.21,;-3.88,-.56,;-2.55,.21,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-.18,.98,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-2.55,1.75,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-6-7-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-14-41(35(43)34(27)42)19-24-8-10-25(11-9-24)36(44)45/h8-13,17-18H,6-7,14-16,19H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.20 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429035
(US10533010, Example I-132 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.75,7.04,;-.75,5.5,;.6,4.77,;.88,3.25,;2.36,2.85,;3.45,3.94,;2.98,5.41,;4.22,6.31,;5.51,5.42,;4.99,3.94,;6.97,5.9,;7.29,7.4,;8.12,4.87,;-.14,2.09,;.63,.76,;-1.67,2.09,;-2.58,.85,;-2.18,-.64,;-.69,-1.04,;-.3,-2.53,;1.19,-2.93,;1.59,-4.41,;3.08,-4.81,;3.48,-6.3,;4.96,-6.7,;2.39,-7.39,;2.79,-8.88,;.9,-6.99,;-.19,-8.08,;.5,-5.5,;-4.04,1.32,;-5.38,.55,;-6.71,1.32,;-6.71,2.86,;-8.05,3.63,;-5.38,3.63,;-5.38,5.17,;-4.13,6.08,;-2.8,5.31,;-4.61,7.54,;-6.15,7.54,;-6.92,8.88,;-6.62,6.08,;-7.96,5.31,;-4.04,2.86,;-2.58,3.34,;-2.17,4.89,)| Show InChI InChI=1S/C36H38Cl2N4O5/c1-19-16-41(18-24-9-12-29(47-24)36(44)45)35(43)34-26(8-7-13-46-25-14-20(2)32(38)21(3)15-25)27-10-11-28(37)31(33(27)42(34)17-19)30-22(4)39-40(6)23(30)5/h9-12,14-15,19H,7-8,13,16-18H2,1-6H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.60 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429029
(US10533010, Example I-126 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |(1.94,5.54,;.6,4.77,;-.75,5.5,;-2.17,4.89,;-2.58,3.34,;-1.67,2.09,;-2.58,.85,;-2.18,-.64,;-.69,-1.04,;-.3,-2.53,;1.19,-2.93,;1.59,-4.41,;3.08,-4.81,;3.48,-6.3,;4.96,-6.7,;2.39,-7.39,;2.79,-8.88,;.9,-6.99,;-.19,-8.08,;.5,-5.5,;-4.04,1.32,;-5.38,.55,;-6.71,1.32,;-6.71,2.86,;-8.05,3.63,;-5.38,3.63,;-5.38,5.17,;-4.13,6.08,;-2.8,5.31,;-4.61,7.54,;-6.15,7.54,;-6.92,8.88,;-6.62,6.08,;-7.96,5.31,;-4.04,2.86,;-.14,2.09,;.63,.76,;.88,3.25,;2.36,2.85,;3.45,3.94,;2.98,5.41,;4.22,6.31,;5.51,5.42,;4.99,3.94,;6.97,5.9,;7.29,7.4,;8.12,4.87,)| Show InChI InChI=1S/C36H38Cl2N4O5/c1-19-16-25(17-20(2)32(19)38)46-15-7-8-26-27-10-11-28(37)31(30-22(4)39-40(6)23(30)5)33(27)41-14-13-21(3)42(35(43)34(26)41)18-24-9-12-29(47-24)36(44)45/h9-12,16-17,21H,7-8,13-15,18H2,1-6H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429041
(US10533010, Example I-138 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wD:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-16-20(3)40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.70 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429044
(US10533010, Example I-141 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12 |(-2.19,5.09,;-3.53,5.86,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-4.77,4.95,;-4.77,3.41,;-6.11,2.64,;-7.44,3.41,;-6.11,1.1,;-4.77,.33,;-3.44,1.1,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-1.07,1.87,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-3.44,2.64,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-16-26(17-21(2)32(20)38)46-15-7-10-27-28-11-12-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-14-13-41(35(43)34(27)42)19-24-8-6-9-25(18-24)36(44)45/h6,8-9,11-12,16-18H,7,10,13-15,19H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.60 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429042
(US10533010, Example I-139 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wD:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.60 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429039
(US10533010, Example I-136 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wD:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50521466
(CHEMBL4580123)Show SMILES CC1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(57.86,-22.8,;57.79,-24.34,;59.16,-25.07,;59.45,-26.61,;60.94,-27.01,;62.03,-25.92,;63.51,-26.33,;64.6,-25.24,;64.21,-23.75,;62.71,-23.36,;61.63,-24.44,;62.31,-21.87,;63.4,-20.78,;60.82,-21.47,;58.43,-27.79,;59.04,-29.2,;56.87,-27.72,;55.96,-28.96,;55.95,-30.5,;57.27,-31.28,;57.26,-32.82,;58.58,-33.6,;58.57,-35.14,;59.89,-35.92,;59.88,-37.45,;61.21,-38.23,;58.54,-38.22,;58.52,-39.76,;57.21,-37.43,;55.87,-38.19,;57.22,-35.89,;54.49,-28.49,;53.16,-29.27,;51.83,-28.49,;51.83,-26.95,;50.49,-26.18,;53.16,-26.18,;53.15,-24.64,;51.9,-23.74,;50.44,-24.22,;52.37,-22.28,;53.91,-22.27,;54.81,-21.02,;54.39,-23.74,;55.86,-24.21,;54.49,-26.94,;55.96,-26.47,;56.37,-24.96,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-43(20-26-9-7-10-27(17-26)38(46)47)37(45)36-29(11-8-14-48-28-15-22(2)34(40)23(3)16-28)30-12-13-31(39)33(35(30)44(36)19-21)32-24(4)41-42(6)25(32)5/h7,9-10,12-13,15-17,21H,8,11,14,18-20H2,1-6H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429022
(US10533010, Example I-118 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)NCCCn3c12 |(-1.26,5.31,;-2.59,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.17,2.86,;-6.5,3.63,;-5.17,1.32,;-3.84,.55,;-2.5,1.32,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.13,2.09,;1.4,2.09,;2.17,.76,;2.42,3.25,;2.14,4.77,;.79,5.5,;-.63,4.89,;-1.04,3.34,;-2.5,2.86,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-16-14-20(15-17(2)26(16)31)37-13-6-8-21-22-9-10-23(30)25(24-18(3)33-34(5)19(24)4)27(22)35-12-7-11-32-29(36)28(21)35/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,32,36) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50521470
(CHEMBL4462125)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |(21.15,-9.08,;19.91,-9.99,;18.53,-9.25,;17.11,-9.87,;16.7,-11.38,;17.61,-12.64,;16.7,-13.88,;16.69,-15.41,;18.01,-16.2,;17.99,-17.74,;19.32,-18.52,;19.3,-20.06,;17.96,-20.81,;17.95,-22.35,;16.61,-23.11,;19.27,-23.14,;19.27,-24.68,;20.62,-22.37,;21.95,-23.15,;20.63,-20.83,;15.23,-13.41,;13.9,-14.19,;12.56,-13.41,;12.57,-11.87,;11.23,-11.1,;13.89,-11.1,;13.88,-9.56,;12.64,-8.66,;11.17,-9.14,;13.1,-7.2,;14.64,-7.19,;15.55,-5.94,;15.13,-8.65,;16.59,-9.12,;15.23,-11.86,;19.17,-12.7,;19.78,-14.12,;20.19,-11.52,;21.72,-11.52,;22.5,-12.85,;21.72,-14.18,;22.49,-15.52,;24.04,-15.51,;24.8,-14.17,;24.03,-12.84,;26.35,-14.16,;27.11,-12.82,;27.12,-15.49,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-17-28(18-22(2)34(21)40)48-16-8-11-29-30-12-13-31(39)33(32-24(4)41-42(6)25(32)5)35(30)43-15-14-23(3)44(37(45)36(29)43)20-26-9-7-10-27(19-26)38(46)47/h7,9-10,12-13,17-19,23H,8,11,14-16,20H2,1-6H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM429017
(US10533010, Example I-113 | US11208415, Example I-...)Show SMILES C[C@@H]1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-15-12-20(13-16(2)26(15)31)37-11-7-8-21-22-9-10-23(30)25(24-18(4)33-34(6)19(24)5)27(22)35-17(3)14-32-29(36)28(21)35/h9-10,12-13,17H,7-8,11,14H2,1-6H3,(H,32,36)/t17-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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)) | BDBM50244117
(CHEMBL4094779 | US10533010, Example I-80 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-21-17-27(18-22(2)33(21)39)47-16-7-11-28-29-12-13-30(38)32(31-23(3)40-41(5)24(31)4)34(29)43-15-8-14-42(36(44)35(28)43)20-25-9-6-10-26(19-25)37(45)46/h6,9-10,12-13,17-19H,7-8,11,14-16,20H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) in presence of 1% fetal bovine serum by fluorescence p... |
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)) | BDBM429036
(US10533010, Example I-133 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-43(20-26-9-11-27(12-10-26)38(46)47)37(45)36-29(8-7-15-48-28-16-22(2)34(40)23(3)17-28)30-13-14-31(39)33(35(30)44(36)19-21)32-24(4)41-42(6)25(32)5/h9-14,16-17,21H,7-8,15,18-20H2,1-6H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) in presence of 1% fetal bovine serum by fluorescence p... |
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)) | BDBM429051
(US10533010, Example I-148 | US11208415, Example I-...)Show SMILES C[C@H]1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-1.86,6.01,;-1.46,4.52,;.07,4.68,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.35,2.03,;1.12,.7,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;-2.08,3.12,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-20(3)16-40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | 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 Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization 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 | |
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