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BDBM50194449 CHEMBL3905193

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

InChI Key: InChIKey=ZXFIEZQGWQBWCD-MMYSEULCNA-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 = 50194449   
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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,35-,36-,37-,38-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+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
Chromobox protein homolog 8


(Homo sapiens (Human))
BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,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 700n/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))
BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,35-,36-,37-,38-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,35-,36-,37-,38-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/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))
BDBM50194449
PNG
(CHEMBL3905193)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C45H70N6O8/c1-11-51(12-2)25-17-16-20-34(40(54)49-37(28-52)44(58)59-10)46-41(55)35(26-29(3)4)48-43(57)38(30(5)6)50-42(56)36(27-31-18-14-13-15-19-31)47-39(53)32-21-23-33(24-22-32)45(7,8)9/h13-15,18-19,21-24,29-30,34-38,52H,11-12,16-17,20,25-28H2,1-10H3,(H,46,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)/t34-,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