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BDBM50455885 CHEMBL1471153

SMILES: OC(=O)Cn1cnc2ccccc2c1=O

InChI Key: InChIKey=BBBICQPTZBHLBM-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50455885   
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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...


J Med Chem 61: 4517-4527 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00258
BindingDB Entry DOI: 10.7270/Q2T72M2K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50455885
PNG
(CHEMBL1471153)
Show SMILES OC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)