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BDBM50430977 CHEMBL2337869

SMILES: Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1

InChI Key: InChIKey=QBARVXAQLMAXTF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50430977   
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))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
PDB
MMDB

NCI pathway
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UniProtKB/TrEMBL

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PC cid
PC sid
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Similars

US Patent
n/an/a 454n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 454n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 800n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair