Found 6 hits for monomerid = 50244152 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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | 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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(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 | 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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | 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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | 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
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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(H,48,49) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | 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)) | BDBM50244152
(CHEMBL4061061)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cn(C)c2c(cccc12)C(O)=O |(9.09,-43.19,;7.62,-42.72,;7.14,-41.25,;5.6,-41.26,;4.69,-40.01,;5.13,-42.72,;3.67,-43.2,;6.38,-43.63,;6.39,-45.17,;5.06,-45.94,;3.73,-45.17,;5.06,-47.49,;6.39,-48.26,;7.73,-47.49,;9.2,-47.97,;9.68,-49.43,;11.18,-49.75,;11.66,-51.21,;13.17,-51.53,;13.64,-53,;15.14,-53.31,;15.62,-54.77,;17.13,-55.08,;14.59,-55.92,;15.07,-57.39,;13.08,-55.6,;12.05,-56.75,;12.61,-54.14,;10.11,-46.71,;11.67,-46.77,;12.28,-48.19,;12.69,-45.6,;12.4,-44.07,;11.03,-43.33,;9.61,-43.95,;9.2,-45.46,;7.72,-45.94,;14.17,-46,;15.38,-45.02,;16.67,-45.86,;18.11,-45.31,;16.27,-47.35,;17.1,-48.63,;16.41,-50,;14.87,-50.08,;14.03,-48.79,;14.73,-47.43,;18.64,-48.55,;19.33,-47.18,;19.48,-49.84,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-12-26-27-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-9-15-45(38(47)37(26)46)31-20-43(5)35-28(31)10-7-11-29(35)39(48)49/h7,10-11,13-14,18-20H,8-9,12,15-17H2,1-6H3,(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
UniChem
Similars
| Article
PubMed
| 2.10E+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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