Found 4 hits of ki for monomerid = 50244131 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)) | BDBM50244131
(CHEMBL4075756 | US10533010, Example I-201 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)| Show InChI InChI=1S/C35H35Cl2N5O4/c1-19-16-24(17-20(2)31(19)37)46-15-6-8-25-26-10-11-27(36)30(29-21(3)39-40(5)22(29)4)32(26)42-14-7-13-41(34(43)33(25)42)28-12-9-23(18-38-28)35(44)45/h9-12,16-18H,6-8,13-15H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | 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-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)) | BDBM50244131
(CHEMBL4075756 | US10533010, Example I-201 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)| Show InChI InChI=1S/C35H35Cl2N5O4/c1-19-16-24(17-20(2)31(19)37)46-15-6-8-25-26-10-11-27(36)30(29-21(3)39-40(5)22(29)4)32(26)42-14-7-13-41(34(43)33(25)42)28-12-9-23(18-38-28)35(44)45/h9-12,16-18H,6-8,13-15H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | 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)) | BDBM50244131
(CHEMBL4075756 | US10533010, Example I-201 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)| Show InChI InChI=1S/C35H35Cl2N5O4/c1-19-16-24(17-20(2)31(19)37)46-15-6-8-25-26-10-11-27(36)30(29-21(3)39-40(5)22(29)4)32(26)42-14-7-13-41(34(43)33(25)42)28-12-9-23(18-38-28)35(44)45/h9-12,16-18H,6-8,13-15H2,1-5H3,(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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244131
(CHEMBL4075756 | US10533010, Example I-201 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(cn1)C(O)=O |(73.64,-43.71,;72.18,-43.24,;71.7,-41.77,;70.16,-41.78,;69.25,-40.54,;69.69,-43.24,;68.22,-43.72,;70.93,-44.15,;70.94,-45.69,;69.61,-46.46,;68.28,-45.69,;69.61,-48.01,;70.95,-48.78,;72.28,-48.01,;73.75,-48.49,;74.23,-49.95,;75.74,-50.27,;76.21,-51.74,;77.72,-52.05,;78.2,-53.52,;79.7,-53.83,;80.18,-55.29,;81.68,-55.61,;79.14,-56.44,;79.62,-57.91,;77.64,-56.12,;76.61,-57.27,;77.16,-54.66,;74.66,-47.23,;76.22,-47.29,;76.83,-48.71,;77.24,-46.12,;76.95,-44.59,;75.58,-43.85,;74.16,-44.47,;73.75,-45.98,;72.28,-46.46,;78.73,-46.52,;79.8,-45.43,;81.29,-45.82,;81.69,-47.32,;80.6,-48.4,;79.11,-48,;83.18,-47.72,;84.27,-46.63,;83.58,-49.2,)| Show InChI InChI=1S/C35H35Cl2N5O4/c1-19-16-24(17-20(2)31(19)37)46-15-6-8-25-26-10-11-27(36)30(29-21(3)39-40(5)22(29)4)32(26)42-14-7-13-41(34(43)33(25)42)28-12-9-23(18-38-28)35(44)45/h9-12,16-18H,6-8,13-15H2,1-5H3,(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 | |
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