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BDBM218178 US9249087, 21

SMILES: Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=OXEAXHNCFYQJFK-UHFFFAOYSA-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 = 218178   
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))
BDBM218178
PNG
(US9249087, 21)
Show SMILES Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12-16(10-19)15-4-2-3-5-17(15)21(12)11-13-6-8-14(9-7-13)18(22)20-23/h2-9,23H,10-11,19H2,1H3,(H,20,22)
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 1.46n/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 1


(Homo sapiens (Human))
BDBM218178
PNG
(US9249087, 21)
Show SMILES Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12-16(10-19)15-4-2-3-5-17(15)21(12)11-13-6-8-14(9-7-13)18(22)20-23/h2-9,23H,10-11,19H2,1H3,(H,20,22)
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 3.09E+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