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BDBM50194469 CHEMBL3937936

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

InChI Key: InChIKey=VXBVPENBQFGYRJ-PADBUQQXNA-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 = 50194469   
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
Chromobox protein homolog 5


(Homo sapiens (Human))
BDBM50194469
PNG
(CHEMBL3937936)
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(OC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H60N6O9/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)55-7)42-39(52)32(23-26(3)4)43-35(48)27(5)41-38(51)33(24-28-15-11-10-12-16-28)44-36(49)29-18-20-30(54-6)21-19-29/h10-12,15-16,18-21,26-27,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t27-,31-,32-,33-,34-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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))
BDBM50194469
PNG
(CHEMBL3937936)
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(OC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H60N6O9/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)55-7)42-39(52)32(23-26(3)4)43-35(48)27(5)41-38(51)33(24-28-15-11-10-12-16-28)44-36(49)29-18-20-30(54-6)21-19-29/h10-12,15-16,18-21,26-27,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t27-,31-,32-,33-,34-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/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 8


(Homo sapiens (Human))
BDBM50194469
PNG
(CHEMBL3937936)
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(OC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H60N6O9/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)55-7)42-39(52)32(23-26(3)4)43-35(48)27(5)41-38(51)33(24-28-15-11-10-12-16-28)44-36(49)29-18-20-30(54-6)21-19-29/h10-12,15-16,18-21,26-27,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t27-,31-,32-,33-,34-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194469
PNG
(CHEMBL3937936)
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(OC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H60N6O9/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)55-7)42-39(52)32(23-26(3)4)43-35(48)27(5)41-38(51)33(24-28-15-11-10-12-16-28)44-36(49)29-18-20-30(54-6)21-19-29/h10-12,15-16,18-21,26-27,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t27-,31-,32-,33-,34-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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 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))
BDBM50194469
PNG
(CHEMBL3937936)
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(OC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C40H60N6O9/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)55-7)42-39(52)32(23-26(3)4)43-35(48)27(5)41-38(51)33(24-28-15-11-10-12-16-28)44-36(49)29-18-20-30(54-6)21-19-29/h10-12,15-16,18-21,26-27,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t27-,31-,32-,33-,34-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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