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BDBM50194450 CHEMBL3933207

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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=PBCHJNMDDNVDMG-ZAVVLHGINA-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 = 50194450   
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))
BDBM50194450
PNG
(CHEMBL3933207)
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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C42H64N6O8/c1-9-48(10-2)23-15-14-18-32(38(52)47-35(26-49)41(55)56)44-40(54)33(24-27(3)4)45-36(50)28(5)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(6,7)8/h11-13,16-17,19-22,27-28,32-35,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)(H,55,56)/t28-,32-,33-,34-,35-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 740n/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))
BDBM50194450
PNG
(CHEMBL3933207)
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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C42H64N6O8/c1-9-48(10-2)23-15-14-18-32(38(52)47-35(26-49)41(55)56)44-40(54)33(24-27(3)4)45-36(50)28(5)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(6,7)8/h11-13,16-17,19-22,27-28,32-35,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)(H,55,56)/t28-,32-,33-,34-,35-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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))
BDBM50194450
PNG
(CHEMBL3933207)
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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C42H64N6O8/c1-9-48(10-2)23-15-14-18-32(38(52)47-35(26-49)41(55)56)44-40(54)33(24-27(3)4)45-36(50)28(5)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(6,7)8/h11-13,16-17,19-22,27-28,32-35,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)(H,55,56)/t28-,32-,33-,34-,35-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 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 5


(Homo sapiens (Human))
BDBM50194450
PNG
(CHEMBL3933207)
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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C42H64N6O8/c1-9-48(10-2)23-15-14-18-32(38(52)47-35(26-49)41(55)56)44-40(54)33(24-27(3)4)45-36(50)28(5)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(6,7)8/h11-13,16-17,19-22,27-28,32-35,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)(H,55,56)/t28-,32-,33-,34-,35-/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 7


(Homo sapiens (Human))
BDBM50194450
PNG
(CHEMBL3933207)
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)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C42H64N6O8/c1-9-48(10-2)23-15-14-18-32(38(52)47-35(26-49)41(55)56)44-40(54)33(24-27(3)4)45-36(50)28(5)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(6,7)8/h11-13,16-17,19-22,27-28,32-35,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)(H,55,56)/t28-,32-,33-,34-,35-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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