new BindingDB logo
myBDB logout

BDBM50005745 CHEMBL3235464

SMILES: COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=XQHSUPFWQCTNGV-RUDMXATFSA-N

Data: 2 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 2 hits for monomerid = 50005745   
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 2


(Homo sapiens (Human))
BDBM50005745
PNG
(CHEMBL3235464)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C26H29NO3/c1-30-24-8-7-22(21-5-2-17(3-6-21)4-9-25(28)27-29)13-23(24)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20,29H,10-12,14-16H2,1H3,(H,27,28)/b9-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005745
PNG
(CHEMBL3235464)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C26H29NO3/c1-30-24-8-7-22(21-5-2-17(3-6-21)4-9-25(28)27-29)13-23(24)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20,29H,10-12,14-16H2,1H3,(H,27,28)/b9-4+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.70E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair