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BDBM50194255 CHEMBL3935965

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

InChI Key: InChIKey=HYDGXWBSEOPRIN-CGCZNOLPNA-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 = 50194255   
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))
BDBM50194255
PNG
(CHEMBL3935965)
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)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C39H58N6O8/c1-7-45(8-2)22-16-15-21-30(36(49)44-33(25-46)39(52)53-6)41-38(51)31(23-26(3)4)42-34(47)27(5)40-37(50)32(24-28-17-11-9-12-18-28)43-35(48)29-19-13-10-14-20-29/h9-14,17-20,26-27,30-33,46H,7-8,15-16,21-25H2,1-6H3,(H,40,50)(H,41,51)(H,42,47)(H,43,48)(H,44,49)/t27-,30-,31-,32-,33-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/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))
BDBM50194255
PNG
(CHEMBL3935965)
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)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C39H58N6O8/c1-7-45(8-2)22-16-15-21-30(36(49)44-33(25-46)39(52)53-6)41-38(51)31(23-26(3)4)42-34(47)27(5)40-37(50)32(24-28-17-11-9-12-18-28)43-35(48)29-19-13-10-14-20-29/h9-14,17-20,26-27,30-33,46H,7-8,15-16,21-25H2,1-6H3,(H,40,50)(H,41,51)(H,42,47)(H,43,48)(H,44,49)/t27-,30-,31-,32-,33-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+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 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))
BDBM50194255
PNG
(CHEMBL3935965)
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)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C39H58N6O8/c1-7-45(8-2)22-16-15-21-30(36(49)44-33(25-46)39(52)53-6)41-38(51)31(23-26(3)4)42-34(47)27(5)40-37(50)32(24-28-17-11-9-12-18-28)43-35(48)29-19-13-10-14-20-29/h9-14,17-20,26-27,30-33,46H,7-8,15-16,21-25H2,1-6H3,(H,40,50)(H,41,51)(H,42,47)(H,43,48)(H,44,49)/t27-,30-,31-,32-,33-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+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 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))
BDBM50194255
PNG
(CHEMBL3935965)
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)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C39H58N6O8/c1-7-45(8-2)22-16-15-21-30(36(49)44-33(25-46)39(52)53-6)41-38(51)31(23-26(3)4)42-34(47)27(5)40-37(50)32(24-28-17-11-9-12-18-28)43-35(48)29-19-13-10-14-20-29/h9-14,17-20,26-27,30-33,46H,7-8,15-16,21-25H2,1-6H3,(H,40,50)(H,41,51)(H,42,47)(H,43,48)(H,44,49)/t27-,30-,31-,32-,33-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+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))
BDBM50194255
PNG
(CHEMBL3935965)
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)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C39H58N6O8/c1-7-45(8-2)22-16-15-21-30(36(49)44-33(25-46)39(52)53-6)41-38(51)31(23-26(3)4)42-34(47)27(5)40-37(50)32(24-28-17-11-9-12-18-28)43-35(48)29-19-13-10-14-20-29/h9-14,17-20,26-27,30-33,46H,7-8,15-16,21-25H2,1-6H3,(H,40,50)(H,41,51)(H,42,47)(H,43,48)(H,44,49)/t27-,30-,31-,32-,33-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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