Found 6 hits of ki for monomerid = 50244174 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)) | 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
| 3.30 | 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-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)) | 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-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)) | 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)) | 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
| 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 | |
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
| 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 | |
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