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BDBM50263453 CHEMBL4065219

SMILES: CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(\C=C\C(=O)NO)cc2)C1=O

InChI Key: InChIKey=USYSIRQEIVMRRQ-ZHACJKMWSA-N

Data: 3 KI

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 3 hits for monomerid = 50263453   
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))
BDBM50263453
PNG
(CHEMBL4065219)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(\C=C\C(=O)NO)cc2)C1=O
Show InChI InChI=1S/C24H22N4O4/c1-26-23(30)18-13-27(24(26)31)14-20-22(18)17-4-2-3-5-19(17)28(20)12-16-8-6-15(7-9-16)10-11-21(29)25-32/h2-11,18,32H,12-14H2,1H3,(H,25,29)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50263453
PNG
(CHEMBL4065219)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(\C=C\C(=O)NO)cc2)C1=O
Show InChI InChI=1S/C24H22N4O4/c1-26-23(30)18-13-27(24(26)31)14-20-22(18)17-4-2-3-5-19(17)28(20)12-16-8-6-15(7-9-16)10-11-21(29)25-32/h2-11,18,32H,12-14H2,1H3,(H,25,29)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
67n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50263453
PNG
(CHEMBL4065219)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(\C=C\C(=O)NO)cc2)C1=O
Show InChI InChI=1S/C24H22N4O4/c1-26-23(30)18-13-27(24(26)31)14-20-22(18)17-4-2-3-5-19(17)28(20)12-16-8-6-15(7-9-16)10-11-21(29)25-32/h2-11,18,32H,12-14H2,1H3,(H,25,29)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
205n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in baculovirus-infected insect cells using RHK(Ac)K(Ac)AMC ...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair