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BDBM50078757 CHEMBL3415453

SMILES: ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=XDWWBVCLAOAADA-UHFFFAOYNA-N

Data: 3 IC50  1 EC50

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 = 50078757   
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50078757
PNG
(CHEMBL3415453)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-3-7-14(8-4-12)21-10-9-15(17(21)23)19-13-5-1-11(2-6-13)16(22)20-24/h1-8,15,19,24H,9-10H2,(H,20,22)
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50078757
PNG
(CHEMBL3415453)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-3-7-14(8-4-12)21-10-9-15(17(21)23)19-13-5-1-11(2-6-13)16(22)20-24/h1-8,15,19,24H,9-10H2,(H,20,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50078757
PNG
(CHEMBL3415453)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-3-7-14(8-4-12)21-10-9-15(17(21)23)19-13-5-1-11(2-6-13)16(22)20-24/h1-8,15,19,24H,9-10H2,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50078757
PNG
(CHEMBL3415453)
Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C17H16ClN3O3/c18-12-3-7-14(8-4-12)21-10-9-15(17(21)23)19-13-5-1-11(2-6-13)16(22)20-24/h1-8,15,19,24H,9-10H2,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate


J Med Chem 58: 2809-20 (2015)


Article DOI: 10.1021/jm502011f
BindingDB Entry DOI: 10.7270/Q2B56MF0
More data for this
Ligand-Target Pair