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BDBM50194465 CHEMBL3980951

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

InChI Key: InChIKey=KWZNJTOCNMNMAZ-YABCKNNGNA-O

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 = 50194465   
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 8


(Homo sapiens (Human))
BDBM50194465
PNG
(CHEMBL3980951)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C38H56N6O8/c1-25(2)22-30(37(50)40-29(20-14-15-21-44(4,5)6)35(48)43-32(24-45)38(51)52-7)41-33(46)26(3)39-36(49)31(23-27-16-10-8-11-17-27)42-34(47)28-18-12-9-13-19-28/h8-13,16-19,25-26,29-32,45H,14-15,20-24H2,1-7H3,(H4-,39,40,41,42,43,46,47,48,49,50)/p+1/t26-,29-,30-,31-,32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+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))
BDBM50194465
PNG
(CHEMBL3980951)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C38H56N6O8/c1-25(2)22-30(37(50)40-29(20-14-15-21-44(4,5)6)35(48)43-32(24-45)38(51)52-7)41-33(46)26(3)39-36(49)31(23-27-16-10-8-11-17-27)42-34(47)28-18-12-9-13-19-28/h8-13,16-19,25-26,29-32,45H,14-15,20-24H2,1-7H3,(H4-,39,40,41,42,43,46,47,48,49,50)/p+1/t26-,29-,30-,31-,32-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+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 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))
BDBM50194465
PNG
(CHEMBL3980951)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C38H56N6O8/c1-25(2)22-30(37(50)40-29(20-14-15-21-44(4,5)6)35(48)43-32(24-45)38(51)52-7)41-33(46)26(3)39-36(49)31(23-27-16-10-8-11-17-27)42-34(47)28-18-12-9-13-19-28/h8-13,16-19,25-26,29-32,45H,14-15,20-24H2,1-7H3,(H4-,39,40,41,42,43,46,47,48,49,50)/p+1/t26-,29-,30-,31-,32-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/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))
BDBM50194465
PNG
(CHEMBL3980951)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C38H56N6O8/c1-25(2)22-30(37(50)40-29(20-14-15-21-44(4,5)6)35(48)43-32(24-45)38(51)52-7)41-33(46)26(3)39-36(49)31(23-27-16-10-8-11-17-27)42-34(47)28-18-12-9-13-19-28/h8-13,16-19,25-26,29-32,45H,14-15,20-24H2,1-7H3,(H4-,39,40,41,42,43,46,47,48,49,50)/p+1/t26-,29-,30-,31-,32-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+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))
BDBM50194465
PNG
(CHEMBL3980951)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C38H56N6O8/c1-25(2)22-30(37(50)40-29(20-14-15-21-44(4,5)6)35(48)43-32(24-45)38(51)52-7)41-33(46)26(3)39-36(49)31(23-27-16-10-8-11-17-27)42-34(47)28-18-12-9-13-19-28/h8-13,16-19,25-26,29-32,45H,14-15,20-24H2,1-7H3,(H4-,39,40,41,42,43,46,47,48,49,50)/p+1/t26-,29-,30-,31-,32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/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