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BDBM50194251 CHEMBL3955176

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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=YPECSSKXTKAOSG-VNSSXCQJNA-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 = 50194251   
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 7


(Homo sapiens (Human))
BDBM50194251
PNG
(CHEMBL3955176)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194251
PNG
(CHEMBL3955176)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+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 5


(Homo sapiens (Human))
BDBM50194251
PNG
(CHEMBL3955176)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194251
PNG
(CHEMBL3955176)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194251
PNG
(CHEMBL3955176)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/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