BindingDB logo
myBDB logout

BDBM50194459 CHEMBL3916833

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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=SSBGKJYMHDNYHV-RUOJJDKXNA-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 = 50194459   
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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194459
PNG
(CHEMBL3916833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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 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 7


(Homo sapiens (Human))
BDBM50194459
PNG
(CHEMBL3916833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194459
PNG
(CHEMBL3916833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50194459
PNG
(CHEMBL3916833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194459
PNG
(CHEMBL3916833)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)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/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
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