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BDBM50517573 CHEMBL4436806

SMILES: CN1CCC2=C(C1)N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S2

InChI Key: InChIKey=LUEVVNYYGUOJAL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50517573   
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))
BDBM50517573
PNG
(CHEMBL4436806)
Show SMILES CN1CCC2=C(C1)N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S2 |c:4|
Show InChI InChI=1S/C20H21N3O2S/c1-22-11-10-19-17(13-22)23(16-4-2-3-5-18(16)26-19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...


J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50517573
PNG
(CHEMBL4436806)
Show SMILES CN1CCC2=C(C1)N(Cc1ccc(cc1)C(=O)NO)c1ccccc1S2 |c:4|
Show InChI InChI=1S/C20H21N3O2S/c1-22-11-10-19-17(13-22)23(16-4-2-3-5-18(16)26-19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...


J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
More data for this
Ligand-Target Pair