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BDBM103533 US10201527, Compound 3::US8551988, 3

SMILES: COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1C

InChI Key: InChIKey=ONFQWSIVWHLHLS-UKTHLTGXSA-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 = 103533   
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 8


(Homo sapiens (Human))
BDBM103533
PNG
(US10201527, Compound 3 | US8551988, 3)
Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1C
Show InChI InChI=1S/C25H23N3O4/c1-28-21-11-8-17(9-13-24(29)27-30)14-20(21)26-25(28)19-10-12-22(23(15-19)31-2)32-16-18-6-4-3-5-7-18/h3-15,30H,16H2,1-2H3,(H,27,29)/b13-9+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.71E+3n/an/an/an/an/an/a



Mei Pharma Inc

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM103533
PNG
(US10201527, Compound 3 | US8551988, 3)
Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1C
Show InChI InChI=1S/C25H23N3O4/c1-28-21-11-8-17(9-13-24(29)27-30)14-20(21)26-25(28)19-10-12-22(23(15-19)31-2)32-16-18-6-4-3-5-7-18/h3-15,30H,16H2,1-2H3,(H,27,29)/b13-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.71E+3n/an/an/an/an/an/a



Mei Pharma Inc

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2PK0J7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103533
PNG
(US10201527, Compound 3 | US8551988, 3)
Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1C
Show InChI InChI=1S/C25H23N3O4/c1-28-21-11-8-17(9-13-24(29)27-30)14-20(21)26-25(28)19-10-12-22(23(15-19)31-2)32-16-18-6-4-3-5-7-18/h3-15,30H,16H2,1-2H3,(H,27,29)/b13-9+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.37E+3n/an/an/an/an/an/a



Mei Pharma Inc

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2PK0J7F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103533
PNG
(US10201527, Compound 3 | US8551988, 3)
Show SMILES COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1C
Show InChI InChI=1S/C25H23N3O4/c1-28-21-11-8-17(9-13-24(29)27-30)14-20(21)26-25(28)19-10-12-22(23(15-19)31-2)32-16-18-6-4-3-5-7-18/h3-15,30H,16H2,1-2H3,(H,27,29)/b13-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.37E+3n/an/an/an/an/an/a



Mei Pharma Inc

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)


BindingDB Entry DOI: 10.7270/Q2BZ64P8
More data for this
Ligand-Target Pair