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BDBM50194431 CHEMBL3954152

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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=PJWSTQJTRDBBIU-YABCKNNGNA-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 = 50194431   
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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194431
PNG
(CHEMBL3954152)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
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
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194431
PNG
(CHEMBL3954152)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
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))
BDBM50194431
PNG
(CHEMBL3954152)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194431
PNG
(CHEMBL3954152)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194431
PNG
(CHEMBL3954152)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)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/C39H57N7O9/c1-25(2)21-30(38(53)43-29(19-13-14-20-46(4)5)36(51)45-32(24-47)39(54)55-6)44-34(49)26(3)41-37(52)31(22-27-15-9-7-10-16-27)42-33(48)23-40-35(50)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-32,47H,13-14,19-24H2,1-6H3,(H,40,50)(H,41,52)(H,42,48)(H,43,53)(H,44,49)(H,45,51)/t26-,29-,30-,31-,32-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
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