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BDBM50194448 CHEMBL3972289

SMILES: CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C

InChI Key: InChIKey=ITTGNAWNEDCTNG-NERNJJNENA-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 = 50194448   
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 5


(Homo sapiens (Human))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C |r|
Show InChI InChI=1/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,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))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C |r|
Show InChI InChI=1/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,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 1.30E+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 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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C |r|
Show InChI InChI=1/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,35-,36-,37-,38-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C |r|
Show InChI InChI=1/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,35-,36-,37-,38-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/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 7


(Homo sapiens (Human))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC)C(C)C |r|
Show InChI InChI=1/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,35-,36-,37-,38-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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