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BDBM50194447 CHEMBL3978944

SMILES: CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=OUNRVROJVYUGOT-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 = 50194447   
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))
BDBM50194447
PNG
(CHEMBL3978944)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/t30-,35-,36-,37-,38-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/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))
BDBM50194447
PNG
(CHEMBL3978944)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/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 5.20E+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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194447
PNG
(CHEMBL3978944)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/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
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194447
PNG
(CHEMBL3978944)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/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 2.40E+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 7


(Homo sapiens (Human))
BDBM50194447
PNG
(CHEMBL3978944)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/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 1.10E+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