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BDBM50194250 CHEMBL3985510

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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=IAUNQJODSCIDIR-BVZYFOTINA-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 = 50194250   
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))
BDBM50194250
PNG
(CHEMBL3985510)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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/C43H63N7O9/c1-29(2)25-34(42(57)47-33(40(55)49-36(28-51)43(58)59-4)21-13-16-24-50-22-14-5-6-15-23-50)48-38(53)30(3)45-41(56)35(26-31-17-9-7-10-18-31)46-37(52)27-44-39(54)32-19-11-8-12-20-32/h7-12,17-20,29-30,33-36,51H,5-6,13-16,21-28H2,1-4H3,(H,44,54)(H,45,56)(H,46,52)(H,47,57)(H,48,53)(H,49,55)/t30-,33-,34-,35-,36-/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))
BDBM50194250
PNG
(CHEMBL3985510)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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/C43H63N7O9/c1-29(2)25-34(42(57)47-33(40(55)49-36(28-51)43(58)59-4)21-13-16-24-50-22-14-5-6-15-23-50)48-38(53)30(3)45-41(56)35(26-31-17-9-7-10-18-31)46-37(52)27-44-39(54)32-19-11-8-12-20-32/h7-12,17-20,29-30,33-36,51H,5-6,13-16,21-28H2,1-4H3,(H,44,54)(H,45,56)(H,46,52)(H,47,57)(H,48,53)(H,49,55)/t30-,33-,34-,35-,36-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/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))
BDBM50194250
PNG
(CHEMBL3985510)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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/C43H63N7O9/c1-29(2)25-34(42(57)47-33(40(55)49-36(28-51)43(58)59-4)21-13-16-24-50-22-14-5-6-15-23-50)48-38(53)30(3)45-41(56)35(26-31-17-9-7-10-18-31)46-37(52)27-44-39(54)32-19-11-8-12-20-32/h7-12,17-20,29-30,33-36,51H,5-6,13-16,21-28H2,1-4H3,(H,44,54)(H,45,56)(H,46,52)(H,47,57)(H,48,53)(H,49,55)/t30-,33-,34-,35-,36-/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
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194250
PNG
(CHEMBL3985510)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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/C43H63N7O9/c1-29(2)25-34(42(57)47-33(40(55)49-36(28-51)43(58)59-4)21-13-16-24-50-22-14-5-6-15-23-50)48-38(53)30(3)45-41(56)35(26-31-17-9-7-10-18-31)46-37(52)27-44-39(54)32-19-11-8-12-20-32/h7-12,17-20,29-30,33-36,51H,5-6,13-16,21-28H2,1-4H3,(H,44,54)(H,45,56)(H,46,52)(H,47,57)(H,48,53)(H,49,55)/t30-,33-,34-,35-,36-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 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))
BDBM50194250
PNG
(CHEMBL3985510)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCCCCC1)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/C43H63N7O9/c1-29(2)25-34(42(57)47-33(40(55)49-36(28-51)43(58)59-4)21-13-16-24-50-22-14-5-6-15-23-50)48-38(53)30(3)45-41(56)35(26-31-17-9-7-10-18-31)46-37(52)27-44-39(54)32-19-11-8-12-20-32/h7-12,17-20,29-30,33-36,51H,5-6,13-16,21-28H2,1-4H3,(H,44,54)(H,45,56)(H,46,52)(H,47,57)(H,48,53)(H,49,55)/t30-,33-,34-,35-,36-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+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 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