Found 4 hits for monomerid = 50159953 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)) | BDBM50159953
(CHEMBL3785461)Show SMILES CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)| Show InChI InChI=1S/C37H41Cl2N5O5S/c1-20(2)36(45)40-19-25-10-8-11-27(18-25)50(47,48)43-37(46)35-28(12-9-15-49-26-16-21(3)33(39)22(4)17-26)29-13-14-30(38)32(34(29)41-35)31-23(5)42-44(7)24(31)6/h8,10-11,13-14,16-18,20,41H,9,12,15,19H2,1-7H3,(H,40,45)(H,43,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <10 | 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
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after... |
J Med Chem 59: 2054-66 (2016)
BindingDB Entry DOI: 10.7270/Q2F191MW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50159953
(CHEMBL3785461)Show SMILES CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)| Show InChI InChI=1S/C37H41Cl2N5O5S/c1-20(2)36(45)40-19-25-10-8-11-27(18-25)50(47,48)43-37(46)35-28(12-9-15-49-26-16-21(3)33(39)22(4)17-26)29-13-14-30(38)32(34(29)41-35)31-23(5)42-44(7)24(31)6/h8,10-11,13-14,16-18,20,41H,9,12,15,19H2,1-7H3,(H,40,45)(H,43,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | 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
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p... |
J Med Chem 59: 2054-66 (2016)
BindingDB Entry DOI: 10.7270/Q2F191MW |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50159953
(CHEMBL3785461)Show SMILES CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)| Show InChI InChI=1S/C37H41Cl2N5O5S/c1-20(2)36(45)40-19-25-10-8-11-27(18-25)50(47,48)43-37(46)35-28(12-9-15-49-26-16-21(3)33(39)22(4)17-26)29-13-14-30(38)32(34(29)41-35)31-23(5)42-44(7)24(31)6/h8,10-11,13-14,16-18,20,41H,9,12,15,19H2,1-7H3,(H,40,45)(H,43,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 54 | 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
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after... |
J Med Chem 59: 2054-66 (2016)
BindingDB Entry DOI: 10.7270/Q2F191MW |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50159953
(CHEMBL3785461)Show SMILES CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 |(15.35,6.87,;14.12,6.85,;13.49,7.91,;13.37,5.5,;14,4.44,;11.83,5.48,;11.08,4.13,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,;7.24,2.75,;8.78,2.77,;6.49,1.4,;7.12,.35,;5.89,.33,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-1.02,3.09,;-2.26,3.99,;-3.43,3.61,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,)| Show InChI InChI=1S/C37H41Cl2N5O5S/c1-20(2)36(45)40-19-25-10-8-11-27(18-25)50(47,48)43-37(46)35-28(12-9-15-49-26-16-21(3)33(39)22(4)17-26)29-13-14-30(38)32(34(29)41-35)31-23(5)42-44(7)24(31)6/h8,10-11,13-14,16-18,20,41H,9,12,15,19H2,1-7H3,(H,40,45)(H,43,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+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
Binding affinity to Bcl-xL (unknown origin) after 1.5 hrs by FPA assay |
J Med Chem 59: 2054-66 (2016)
BindingDB Entry DOI: 10.7270/Q2F191MW |
More data for this
Ligand-Target Pair | |
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