Found 3 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50244128' 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)) | BDBM50244128
(CHEMBL4067325 | US11596639, Example 43)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(ccn4)C(O)=O)CCCn3c12 |(49.46,-24.69,;48,-24.22,;47.52,-22.76,;45.98,-22.76,;45.07,-21.52,;45.5,-24.23,;44.04,-24.71,;46.75,-25.13,;46.76,-26.68,;45.43,-27.45,;44.1,-26.68,;45.43,-28.99,;46.76,-29.76,;48.1,-28.99,;49.57,-29.47,;50.05,-30.93,;51.55,-31.25,;52.03,-32.72,;53.54,-33.04,;54.01,-34.5,;55.51,-34.81,;55.99,-36.27,;57.5,-36.59,;54.96,-37.43,;55.44,-38.89,;53.45,-37.11,;52.42,-38.25,;52.98,-35.64,;50.48,-28.21,;52.04,-28.28,;52.65,-29.69,;53.06,-27.1,;54.55,-27.5,;55.64,-26.41,;57.12,-26.82,;58.21,-25.73,;57.82,-24.24,;56.32,-23.84,;55.24,-24.93,;59.7,-26.13,;60.79,-25.05,;60.1,-27.62,;52.77,-25.57,;51.4,-24.83,;49.98,-25.46,;49.57,-26.96,;48.1,-27.44,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-20-16-26(17-21(2)32(20)38)47-15-6-8-27-28-9-10-29(37)31(30-22(3)40-41(5)23(30)4)33(28)43-14-7-13-42(35(44)34(27)43)19-25-18-24(36(45)46)11-12-39-25/h9-12,16-18H,6-8,13-15,19H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
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-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)) | BDBM50244128
(CHEMBL4067325 | US11596639, Example 43)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(ccn4)C(O)=O)CCCn3c12 |(49.46,-24.69,;48,-24.22,;47.52,-22.76,;45.98,-22.76,;45.07,-21.52,;45.5,-24.23,;44.04,-24.71,;46.75,-25.13,;46.76,-26.68,;45.43,-27.45,;44.1,-26.68,;45.43,-28.99,;46.76,-29.76,;48.1,-28.99,;49.57,-29.47,;50.05,-30.93,;51.55,-31.25,;52.03,-32.72,;53.54,-33.04,;54.01,-34.5,;55.51,-34.81,;55.99,-36.27,;57.5,-36.59,;54.96,-37.43,;55.44,-38.89,;53.45,-37.11,;52.42,-38.25,;52.98,-35.64,;50.48,-28.21,;52.04,-28.28,;52.65,-29.69,;53.06,-27.1,;54.55,-27.5,;55.64,-26.41,;57.12,-26.82,;58.21,-25.73,;57.82,-24.24,;56.32,-23.84,;55.24,-24.93,;59.7,-26.13,;60.79,-25.05,;60.1,-27.62,;52.77,-25.57,;51.4,-24.83,;49.98,-25.46,;49.57,-26.96,;48.1,-27.44,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-20-16-26(17-21(2)32(20)38)47-15-6-8-27-28-9-10-29(37)31(30-22(3)40-41(5)23(30)4)33(28)43-14-7-13-42(35(44)34(27)43)19-25-18-24(36(45)46)11-12-39-25/h9-12,16-18H,6-8,13-15,19H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Fluorescence Polarization Anisotropy Competition Assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244128
(CHEMBL4067325 | US11596639, Example 43)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(ccn4)C(O)=O)CCCn3c12 |(49.46,-24.69,;48,-24.22,;47.52,-22.76,;45.98,-22.76,;45.07,-21.52,;45.5,-24.23,;44.04,-24.71,;46.75,-25.13,;46.76,-26.68,;45.43,-27.45,;44.1,-26.68,;45.43,-28.99,;46.76,-29.76,;48.1,-28.99,;49.57,-29.47,;50.05,-30.93,;51.55,-31.25,;52.03,-32.72,;53.54,-33.04,;54.01,-34.5,;55.51,-34.81,;55.99,-36.27,;57.5,-36.59,;54.96,-37.43,;55.44,-38.89,;53.45,-37.11,;52.42,-38.25,;52.98,-35.64,;50.48,-28.21,;52.04,-28.28,;52.65,-29.69,;53.06,-27.1,;54.55,-27.5,;55.64,-26.41,;57.12,-26.82,;58.21,-25.73,;57.82,-24.24,;56.32,-23.84,;55.24,-24.93,;59.7,-26.13,;60.79,-25.05,;60.1,-27.62,;52.77,-25.57,;51.4,-24.83,;49.98,-25.46,;49.57,-26.96,;48.1,-27.44,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-20-16-26(17-21(2)32(20)38)47-15-6-8-27-28-9-10-29(37)31(30-22(3)40-41(5)23(30)4)33(28)43-14-7-13-42(35(44)34(27)43)19-25-18-24(36(45)46)11-12-39-25/h9-12,16-18H,6-8,13-15,19H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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-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 | |
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