Found 10 hits for monomerid = 50244166 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)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.0890 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.110 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.120 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.320 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.350 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.370 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| 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 | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(H,48,49) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 560 | 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)) | BDBM50244166
(CHEMBL4067929)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2ccc(cc12)C(O)=O |(49.62,-43.13,;48.15,-42.65,;47.67,-41.19,;46.13,-41.2,;45.22,-39.95,;45.66,-42.66,;44.2,-43.14,;46.91,-43.56,;46.92,-45.11,;45.59,-45.88,;44.26,-45.11,;45.59,-47.42,;46.92,-48.2,;48.25,-47.43,;49.73,-47.9,;50.21,-49.37,;51.71,-49.69,;52.19,-51.15,;53.7,-51.47,;54.17,-52.94,;55.67,-53.25,;56.15,-54.71,;57.66,-55.02,;55.12,-55.86,;55.6,-57.33,;53.61,-55.54,;52.58,-56.69,;53.14,-54.08,;50.64,-46.65,;52.2,-46.71,;52.81,-48.12,;53.22,-45.53,;52.93,-44,;51.56,-43.27,;50.14,-43.89,;49.73,-45.39,;48.25,-45.87,;54.7,-45.93,;55.91,-44.96,;57.2,-45.8,;58.64,-45.25,;56.8,-47.29,;57.63,-48.57,;56.94,-49.93,;55.4,-50.02,;54.56,-48.73,;55.26,-47.36,;56.15,-51.34,;57.69,-51.34,;54.95,-52.29,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-26(18-22(2)35(21)41)50-16-7-9-27-28-11-12-30(40)34(33-23(3)42-44(6)24(33)4)36(28)46-15-8-14-45(38(47)37(27)46)32-20-43(5)31-13-10-25(39(48)49)19-29(31)32/h10-13,17-20H,7-9,14-16H2,1-6H3,(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
| 2.60E+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 | |
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