Found 4 hits of ki for monomerid = 50244183 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)) | BDBM50244183
(CHEMBL4104170 | US10533010, Example I-175 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(O)=O |(55.31,-43.87,;53.85,-43.4,;53.37,-41.94,;51.83,-41.94,;50.92,-40.7,;51.35,-43.41,;49.89,-43.89,;52.6,-44.31,;52.61,-45.86,;51.28,-46.63,;49.95,-45.86,;51.28,-48.17,;52.61,-48.94,;53.95,-48.17,;55.42,-48.65,;55.9,-50.11,;57.41,-50.43,;57.88,-51.9,;59.39,-52.22,;59.86,-53.68,;61.36,-54,;61.84,-55.45,;63.35,-55.77,;60.81,-56.61,;61.29,-58.07,;59.31,-56.29,;58.27,-57.43,;58.83,-54.82,;56.33,-47.39,;57.89,-47.46,;58.5,-48.87,;58.91,-46.28,;58.62,-44.75,;57.25,-44.01,;55.83,-44.64,;55.42,-46.14,;53.95,-46.62,;60.4,-46.68,;60.78,-48.17,;62.27,-48.57,;63.36,-47.48,;62.96,-45.98,;61.47,-45.59,;64.85,-47.88,;65.94,-46.79,;65.25,-49.37,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-18-26(19-21(2)32(20)38)46-17-6-8-27-28-13-14-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-16-7-15-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,44,45) | 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/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)) | BDBM50244183
(CHEMBL4104170 | US10533010, Example I-175 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(O)=O |(55.31,-43.87,;53.85,-43.4,;53.37,-41.94,;51.83,-41.94,;50.92,-40.7,;51.35,-43.41,;49.89,-43.89,;52.6,-44.31,;52.61,-45.86,;51.28,-46.63,;49.95,-45.86,;51.28,-48.17,;52.61,-48.94,;53.95,-48.17,;55.42,-48.65,;55.9,-50.11,;57.41,-50.43,;57.88,-51.9,;59.39,-52.22,;59.86,-53.68,;61.36,-54,;61.84,-55.45,;63.35,-55.77,;60.81,-56.61,;61.29,-58.07,;59.31,-56.29,;58.27,-57.43,;58.83,-54.82,;56.33,-47.39,;57.89,-47.46,;58.5,-48.87,;58.91,-46.28,;58.62,-44.75,;57.25,-44.01,;55.83,-44.64,;55.42,-46.14,;53.95,-46.62,;60.4,-46.68,;60.78,-48.17,;62.27,-48.57,;63.36,-47.48,;62.96,-45.98,;61.47,-45.59,;64.85,-47.88,;65.94,-46.79,;65.25,-49.37,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-18-26(19-21(2)32(20)38)46-17-6-8-27-28-13-14-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-16-7-15-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | 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/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)) | BDBM50244183
(CHEMBL4104170 | US10533010, Example I-175 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(O)=O |(55.31,-43.87,;53.85,-43.4,;53.37,-41.94,;51.83,-41.94,;50.92,-40.7,;51.35,-43.41,;49.89,-43.89,;52.6,-44.31,;52.61,-45.86,;51.28,-46.63,;49.95,-45.86,;51.28,-48.17,;52.61,-48.94,;53.95,-48.17,;55.42,-48.65,;55.9,-50.11,;57.41,-50.43,;57.88,-51.9,;59.39,-52.22,;59.86,-53.68,;61.36,-54,;61.84,-55.45,;63.35,-55.77,;60.81,-56.61,;61.29,-58.07,;59.31,-56.29,;58.27,-57.43,;58.83,-54.82,;56.33,-47.39,;57.89,-47.46,;58.5,-48.87,;58.91,-46.28,;58.62,-44.75,;57.25,-44.01,;55.83,-44.64,;55.42,-46.14,;53.95,-46.62,;60.4,-46.68,;60.78,-48.17,;62.27,-48.57,;63.36,-47.48,;62.96,-45.98,;61.47,-45.59,;64.85,-47.88,;65.94,-46.79,;65.25,-49.37,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-18-26(19-21(2)32(20)38)46-17-6-8-27-28-13-14-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-16-7-15-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,44,45) | 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)) | BDBM50244183
(CHEMBL4104170 | US10533010, Example I-175 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cc1)C(O)=O |(55.31,-43.87,;53.85,-43.4,;53.37,-41.94,;51.83,-41.94,;50.92,-40.7,;51.35,-43.41,;49.89,-43.89,;52.6,-44.31,;52.61,-45.86,;51.28,-46.63,;49.95,-45.86,;51.28,-48.17,;52.61,-48.94,;53.95,-48.17,;55.42,-48.65,;55.9,-50.11,;57.41,-50.43,;57.88,-51.9,;59.39,-52.22,;59.86,-53.68,;61.36,-54,;61.84,-55.45,;63.35,-55.77,;60.81,-56.61,;61.29,-58.07,;59.31,-56.29,;58.27,-57.43,;58.83,-54.82,;56.33,-47.39,;57.89,-47.46,;58.5,-48.87,;58.91,-46.28,;58.62,-44.75,;57.25,-44.01,;55.83,-44.64,;55.42,-46.14,;53.95,-46.62,;60.4,-46.68,;60.78,-48.17,;62.27,-48.57,;63.36,-47.48,;62.96,-45.98,;61.47,-45.59,;64.85,-47.88,;65.94,-46.79,;65.25,-49.37,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-18-26(19-21(2)32(20)38)46-17-6-8-27-28-13-14-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-16-7-15-41(35(43)34(27)42)25-11-9-24(10-12-25)36(44)45/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,44,45) | 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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