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BDBM50009526 CHEMBL3234440

SMILES: C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO

InChI Key: InChIKey=QCMLFWWQGKFXQS-NOOLENRPSA-O

Data: 2 Kd

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 2 hits for monomerid = 50009526   
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 8


(Homo sapiens (Human))
BDBM50009526
PNG
(CHEMBL3234440)
Show SMILES C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r|
Show InChI InChI=1S/C30H49N5O6/c1-21(31-26(38)18-22-12-6-5-7-13-22)28(39)34-27(23-14-8-9-15-23)30(41)33-25(16-10-11-17-35(2,3)4)29(40)32-24(19-36)20-37/h5-7,12-13,21,23-25,27,36-37H,8-11,14-20H2,1-4H3,(H3-,31,32,33,34,38,39,40,41)/p+1/t21-,25-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50009526
PNG
(CHEMBL3234440)
Show SMILES C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r|
Show InChI InChI=1S/C30H49N5O6/c1-21(31-26(38)18-22-12-6-5-7-13-22)28(39)34-27(23-14-8-9-15-23)30(41)33-25(16-10-11-17-35(2,3)4)29(40)32-24(19-36)20-37/h5-7,12-13,21,23-25,27,36-37H,8-11,14-20H2,1-4H3,(H3-,31,32,33,34,38,39,40,41)/p+1/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.10E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX7 (unknown origin) by isothermal titration calorimetry assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair