Found 7 hits for monomerid = 50244151 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)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.650 | 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 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af... |
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)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| <1 | 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)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.60 | 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 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af... |
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)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 5.20 | 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 | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
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)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 140 | 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 binding to Bcl2 (unknown origin) after 1.5 hrs by fluorescence polarization assay |
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 | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50244151
(CHEMBL4083870 | US10533010, Example I-345)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc2c(cn(C)c12)C(O)=O |(47.37,-23.92,;45.91,-23.45,;45.43,-21.99,;43.89,-21.99,;42.98,-20.75,;43.41,-23.46,;41.95,-23.94,;44.66,-24.36,;44.67,-25.91,;43.34,-26.68,;42.01,-25.91,;43.34,-28.22,;44.68,-28.99,;46.01,-28.22,;47.48,-28.7,;47.96,-30.17,;49.47,-30.49,;49.94,-31.95,;51.45,-32.27,;51.93,-33.73,;53.43,-34.05,;53.91,-35.51,;55.41,-35.82,;52.87,-36.66,;53.35,-38.12,;51.37,-36.34,;50.34,-37.48,;50.89,-34.88,;48.39,-27.44,;49.95,-27.51,;50.56,-28.92,;50.97,-26.33,;50.68,-24.8,;49.31,-24.07,;47.89,-24.69,;47.48,-26.19,;46.01,-26.67,;52.46,-26.73,;53.53,-25.64,;55.02,-26.04,;55.42,-27.53,;54.33,-28.62,;54.4,-30.15,;52.97,-30.7,;52.01,-29.5,;50.51,-29.9,;52.84,-28.22,;55.7,-30.99,;57.07,-30.29,;55.61,-32.53,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >3.60E+4 | 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 binding to Bcl-XL (unknown origin) after 1.5 hrs by fluorescence polarization assay |
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 | |