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BDBM50194427 CHEMBL3932467

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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=KIVRLNZVHYCJSN-CPNUCXSRNA-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 = 50194427   
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))
BDBM50194427
PNG
(CHEMBL3932467)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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/C44H63N7O9/c1-27(2)21-35(43(58)49-33(41(56)51-37(26-52)44(59)60-4)17-11-12-20-45-34-24-30-18-19-32(34)22-30)50-39(54)28(3)47-42(57)36(23-29-13-7-5-8-14-29)48-38(53)25-46-40(55)31-15-9-6-10-16-31/h5-10,13-16,27-28,30,32-37,45,52H,11-12,17-26H2,1-4H3,(H,46,55)(H,47,57)(H,48,53)(H,49,58)(H,50,54)(H,51,56)/t28-,30?,32?,33-,34?,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.00E+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 8


(Homo sapiens (Human))
BDBM50194427
PNG
(CHEMBL3932467)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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/C44H63N7O9/c1-27(2)21-35(43(58)49-33(41(56)51-37(26-52)44(59)60-4)17-11-12-20-45-34-24-30-18-19-32(34)22-30)50-39(54)28(3)47-42(57)36(23-29-13-7-5-8-14-29)48-38(53)25-46-40(55)31-15-9-6-10-16-31/h5-10,13-16,27-28,30,32-37,45,52H,11-12,17-26H2,1-4H3,(H,46,55)(H,47,57)(H,48,53)(H,49,58)(H,50,54)(H,51,56)/t28-,30?,32?,33-,34?,35-,36-,37-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

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))
BDBM50194427
PNG
(CHEMBL3932467)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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/C44H63N7O9/c1-27(2)21-35(43(58)49-33(41(56)51-37(26-52)44(59)60-4)17-11-12-20-45-34-24-30-18-19-32(34)22-30)50-39(54)28(3)47-42(57)36(23-29-13-7-5-8-14-29)48-38(53)25-46-40(55)31-15-9-6-10-16-31/h5-10,13-16,27-28,30,32-37,45,52H,11-12,17-26H2,1-4H3,(H,46,55)(H,47,57)(H,48,53)(H,49,58)(H,50,54)(H,51,56)/t28-,30?,32?,33-,34?,35-,36-,37-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

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 5


(Homo sapiens (Human))
BDBM50194427
PNG
(CHEMBL3932467)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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/C44H63N7O9/c1-27(2)21-35(43(58)49-33(41(56)51-37(26-52)44(59)60-4)17-11-12-20-45-34-24-30-18-19-32(34)22-30)50-39(54)28(3)47-42(57)36(23-29-13-7-5-8-14-29)48-38(53)25-46-40(55)31-15-9-6-10-16-31/h5-10,13-16,27-28,30,32-37,45,52H,11-12,17-26H2,1-4H3,(H,46,55)(H,47,57)(H,48,53)(H,49,58)(H,50,54)(H,51,56)/t28-,30?,32?,33-,34?,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

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 7


(Homo sapiens (Human))
BDBM50194427
PNG
(CHEMBL3932467)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)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/C44H63N7O9/c1-27(2)21-35(43(58)49-33(41(56)51-37(26-52)44(59)60-4)17-11-12-20-45-34-24-30-18-19-32(34)22-30)50-39(54)28(3)47-42(57)36(23-29-13-7-5-8-14-29)48-38(53)25-46-40(55)31-15-9-6-10-16-31/h5-10,13-16,27-28,30,32-37,45,52H,11-12,17-26H2,1-4H3,(H,46,55)(H,47,57)(H,48,53)(H,49,58)(H,50,54)(H,51,56)/t28-,30?,32?,33-,34?,35-,36-,37-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

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