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BDBM50194463 CHEMBL3974828

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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=LVLHGUOJFJEUQP-BVLKTWCANA-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 = 50194463   
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))
BDBM50194463
PNG
(CHEMBL3974828)
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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C41H61N7O9/c1-7-48(8-2)22-16-15-21-31(38(53)47-34(26-49)41(56)57-6)45-40(55)32(23-27(3)4)46-36(51)28(5)43-39(54)33(24-29-17-11-9-12-18-29)44-35(50)25-42-37(52)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,49H,7-8,15-16,21-26H2,1-6H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+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
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194463
PNG
(CHEMBL3974828)
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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C41H61N7O9/c1-7-48(8-2)22-16-15-21-31(38(53)47-34(26-49)41(56)57-6)45-40(55)32(23-27(3)4)46-36(51)28(5)43-39(54)33(24-29-17-11-9-12-18-29)44-35(50)25-42-37(52)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,49H,7-8,15-16,21-26H2,1-6H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 670n/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 7


(Homo sapiens (Human))
BDBM50194463
PNG
(CHEMBL3974828)
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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C41H61N7O9/c1-7-48(8-2)22-16-15-21-31(38(53)47-34(26-49)41(56)57-6)45-40(55)32(23-27(3)4)46-36(51)28(5)43-39(54)33(24-29-17-11-9-12-18-29)44-35(50)25-42-37(52)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,49H,7-8,15-16,21-26H2,1-6H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194463
PNG
(CHEMBL3974828)
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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C41H61N7O9/c1-7-48(8-2)22-16-15-21-31(38(53)47-34(26-49)41(56)57-6)45-40(55)32(23-27(3)4)46-36(51)28(5)43-39(54)33(24-29-17-11-9-12-18-29)44-35(50)25-42-37(52)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,49H,7-8,15-16,21-26H2,1-6H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50194463
PNG
(CHEMBL3974828)
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)CNC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C41H61N7O9/c1-7-48(8-2)22-16-15-21-31(38(53)47-34(26-49)41(56)57-6)45-40(55)32(23-27(3)4)46-36(51)28(5)43-39(54)33(24-29-17-11-9-12-18-29)44-35(50)25-42-37(52)30-19-13-10-14-20-30/h9-14,17-20,27-28,31-34,49H,7-8,15-16,21-26H2,1-6H3,(H,42,52)(H,43,54)(H,44,50)(H,45,55)(H,46,51)(H,47,53)/t28-,31-,32-,33-,34-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+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