Found 6 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50244143' 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | 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 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | 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 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | 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)) | BDBM50244143
(CHEMBL4064897 | US10533010, Example I-251 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2ccn(C)c12)C(O)=O |(50.87,-5.98,;49.4,-5.51,;48.92,-4.04,;47.38,-4.05,;46.48,-2.81,;46.91,-5.52,;45.45,-6,;48.16,-6.42,;48.17,-7.96,;46.84,-8.73,;45.51,-7.96,;46.84,-10.28,;48.17,-11.05,;49.51,-10.28,;50.98,-10.76,;51.46,-12.22,;52.96,-12.54,;53.44,-14.01,;54.95,-14.33,;55.42,-15.79,;56.92,-16.1,;57.4,-17.56,;58.91,-17.88,;56.37,-18.72,;56.85,-20.18,;54.86,-18.39,;53.83,-19.54,;54.39,-16.93,;51.89,-9.5,;53.45,-9.56,;54.06,-10.98,;54.47,-8.39,;54.18,-6.86,;52.81,-6.12,;51.39,-6.74,;50.98,-8.25,;49.51,-8.73,;55.96,-8.79,;57.03,-7.7,;58.52,-8.09,;58.92,-9.59,;57.82,-10.67,;57.9,-12.2,;56.47,-12.75,;55.51,-11.56,;54.01,-11.95,;56.34,-10.27,;59.6,-7,;59.2,-5.52,;61.09,-7.4,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-17-27(18-22(2)34(21)41)50-16-7-9-28-29-10-11-30(40)33(32-23(3)42-44(6)24(32)4)36(29)46-14-8-13-45(38(47)37(28)46)31-20-26(39(48)49)19-25-12-15-43(5)35(25)31/h10-12,15,17-20H,7-9,13-14,16H2,1-6H3,(H,48,49) | 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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