Found 6 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50244170' 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)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | 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)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL... |
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)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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-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)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | 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-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL... |
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)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244170
(CHEMBL4082941 | US10533010, Example I-351 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cccc12)C(O)=O |(67.52,-23.94,;66.05,-23.47,;65.57,-22,;64.03,-22.01,;63.12,-20.77,;63.56,-23.47,;62.1,-23.96,;64.81,-24.38,;64.82,-25.92,;63.49,-26.69,;62.15,-25.92,;63.49,-28.24,;64.82,-29.01,;66.15,-28.24,;67.63,-28.72,;68.1,-30.18,;69.61,-30.5,;70.09,-31.97,;71.59,-32.29,;72.07,-33.75,;73.57,-34.06,;74.05,-35.52,;75.56,-35.84,;73.02,-36.68,;73.5,-38.14,;71.51,-36.35,;70.48,-37.5,;71.04,-34.89,;68.54,-27.46,;70.1,-27.52,;70.71,-28.94,;71.11,-26.35,;70.83,-24.82,;69.46,-24.08,;68.04,-24.7,;67.63,-26.21,;66.15,-26.69,;72.6,-26.75,;73.68,-25.66,;75.16,-26.05,;75.57,-27.55,;74.47,-28.63,;74.87,-30.1,;73.8,-31.19,;72.31,-30.8,;71.91,-29.32,;72.99,-28.23,;76.36,-30.5,;77.44,-29.4,;76.76,-31.98,)| Show InChI InChI=1S/C40H38Cl2N4O4/c1-22-20-26(21-23(2)36(22)42)50-19-8-13-29-30-15-16-32(41)35(34-24(3)43-44(5)25(34)4)37(30)46-18-9-17-45(39(47)38(29)46)33-14-7-10-27-28(33)11-6-12-31(27)40(48)49/h6-7,10-12,14-16,20-21H,8-9,13,17-19H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
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