Found 4 hits for monomerid = 50244186 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)) | BDBM50244186
(CHEMBL4063120 | US10533010, Example I-82 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)| Show InChI InChI=1S/C34H35ClN4O4/c1-19-16-25(17-20(2)30(19)35)43-15-7-10-27-26-8-6-9-28(29-21(3)38-39(5)22(29)4)31(26)37-32(27)33(40)36-18-23-11-13-24(14-12-23)34(41)42/h6,8-9,11-14,16-17,37H,7,10,15,18H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | 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)) | BDBM50244186
(CHEMBL4063120 | US10533010, Example I-82 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)| Show InChI InChI=1S/C34H35ClN4O4/c1-19-16-25(17-20(2)30(19)35)43-15-7-10-27-26-8-6-9-28(29-21(3)38-39(5)22(29)4)31(26)37-32(27)33(40)36-18-23-11-13-24(14-12-23)34(41)42/h6,8-9,11-14,16-17,37H,7,10,15,18H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244186
(CHEMBL4063120 | US10533010, Example I-82 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)| Show InChI InChI=1S/C34H35ClN4O4/c1-19-16-25(17-20(2)30(19)35)43-15-7-10-27-26-8-6-9-28(29-21(3)38-39(5)22(29)4)31(26)37-32(27)33(40)36-18-23-11-13-24(14-12-23)34(41)42/h6,8-9,11-14,16-17,37H,7,10,15,18H2,1-5H3,(H,36,40)(H,41,42) | 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)) | BDBM50244186
(CHEMBL4063120 | US10533010, Example I-82 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(cc1)C(O)=O |(9.46,-44.01,;7.99,-43.54,;7.51,-42.08,;5.97,-42.08,;5.06,-40.84,;5.5,-43.55,;4.03,-44.03,;6.75,-44.45,;6.75,-46,;5.43,-46.77,;5.42,-48.31,;6.76,-49.08,;8.09,-48.31,;9.57,-48.79,;10.04,-50.26,;11.55,-50.58,;12.03,-52.04,;13.53,-52.36,;14.01,-53.82,;15.51,-54.14,;15.99,-55.6,;17.5,-55.91,;14.96,-56.75,;15.44,-58.21,;13.45,-56.43,;12.42,-57.57,;12.97,-54.96,;10.48,-47.54,;9.57,-46.28,;8.09,-46.76,;12.02,-47.53,;12.79,-48.87,;12.79,-46.2,;14.33,-46.2,;15.1,-44.87,;16.63,-44.87,;17.4,-43.54,;16.63,-42.2,;15.09,-42.21,;14.32,-43.54,;17.4,-40.87,;16.63,-39.54,;18.94,-40.87,)| Show InChI InChI=1S/C34H35ClN4O4/c1-19-16-25(17-20(2)30(19)35)43-15-7-10-27-26-8-6-9-28(29-21(3)38-39(5)22(29)4)31(26)37-32(27)33(40)36-18-23-11-13-24(14-12-23)34(41)42/h6,8-9,11-14,16-17,37H,7,10,15,18H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >200 | 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 | |
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