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BDBM50194458 CHEMBL3987134

SMILES: CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=IQFBELGVMQWYDI-ZHUZVFKSNA-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 = 50194458   
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))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/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))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+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
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+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