Found 9 hits for monomerid = 50244141 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
US Patent
| <7 | 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 | 
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 21 | 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 |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
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 |
3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| US Patent
| 3.82E+3 | 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 | |
Bcl-xL/Bcl-2-binding component 3
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| US Patent
| 1.34E+4 | 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 |
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