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BDBM50194252 CHEMBL3922982

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1

InChI Key: InChIKey=STNKZTAUFWFKBE-UNMYWOEENA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50194252   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194252
PNG
(CHEMBL3922982)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1/C46H65N7O10/c1-28(2)22-36(45(61)50-35(43(59)52-38(27-54)46(62)63-5)18-12-13-21-53(30(4)55)39-25-32-19-20-34(39)23-32)51-41(57)29(3)48-44(60)37(24-31-14-8-6-9-15-31)49-40(56)26-47-42(58)33-16-10-7-11-17-33/h6-11,14-17,28-29,32,34-39,54H,12-13,18-27H2,1-5H3,(H,47,58)(H,48,60)(H,49,56)(H,50,61)(H,51,57)(H,52,59)/t29-,32?,34?,35-,36-,37-,38-,39?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX5 chromodomain (18 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194252
PNG
(CHEMBL3922982)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1/C46H65N7O10/c1-28(2)22-36(45(61)50-35(43(59)52-38(27-54)46(62)63-5)18-12-13-21-53(30(4)55)39-25-32-19-20-34(39)23-32)51-41(57)29(3)48-44(60)37(24-31-14-8-6-9-15-31)49-40(56)26-47-42(58)33-16-10-7-11-17-33/h6-11,14-17,28-29,32,34-39,54H,12-13,18-27H2,1-5H3,(H,47,58)(H,48,60)(H,49,56)(H,50,61)(H,51,57)(H,52,59)/t29-,32?,34?,35-,36-,37-,38-,39?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194252
PNG
(CHEMBL3922982)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1/C46H65N7O10/c1-28(2)22-36(45(61)50-35(43(59)52-38(27-54)46(62)63-5)18-12-13-21-53(30(4)55)39-25-32-19-20-34(39)23-32)51-41(57)29(3)48-44(60)37(24-31-14-8-6-9-15-31)49-40(56)26-47-42(58)33-16-10-7-11-17-33/h6-11,14-17,28-29,32,34-39,54H,12-13,18-27H2,1-5H3,(H,47,58)(H,48,60)(H,49,56)(H,50,61)(H,51,57)(H,52,59)/t29-,32?,34?,35-,36-,37-,38-,39?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human C-terminal His-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194252
PNG
(CHEMBL3922982)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1/C46H65N7O10/c1-28(2)22-36(45(61)50-35(43(59)52-38(27-54)46(62)63-5)18-12-13-21-53(30(4)55)39-25-32-19-20-34(39)23-32)51-41(57)29(3)48-44(60)37(24-31-14-8-6-9-15-31)49-40(56)26-47-42(58)33-16-10-7-11-17-33/h6-11,14-17,28-29,32,34-39,54H,12-13,18-27H2,1-5H3,(H,47,58)(H,48,60)(H,49,56)(H,50,61)(H,51,57)(H,52,59)/t29-,32?,34?,35-,36-,37-,38-,39?/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194252
PNG
(CHEMBL3922982)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CC2CCC1C2)C(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1/C46H65N7O10/c1-28(2)22-36(45(61)50-35(43(59)52-38(27-54)46(62)63-5)18-12-13-21-53(30(4)55)39-25-32-19-20-34(39)23-32)51-41(57)29(3)48-44(60)37(24-31-14-8-6-9-15-31)49-40(56)26-47-42(58)33-16-10-7-11-17-33/h6-11,14-17,28-29,32,34-39,54H,12-13,18-27H2,1-5H3,(H,47,58)(H,48,60)(H,49,56)(H,50,61)(H,51,57)(H,52,59)/t29-,32?,34?,35-,36-,37-,38-,39?/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
More data for this
Ligand-Target Pair