BindingDB logo
myBDB logout

BDBM218161 US9249087, 4

SMILES: Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=LLNQRLNBHCSMSW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 218161   
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 1


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.34E+3n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.14E+3n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.83E+4n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 397n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.51n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair