BindingDB logo
myBDB logout

null

SMILES: Cc1c(F)cccc1[C@@]1(Cc2cn(nc2C1)-c1ncccc1F)C(=O)NO

InChI Key: InChIKey=WKAMXVLNHDYKNP-IBGZPJMESA-N

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 = 272093   
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 9


(Homo sapiens (Human))
BDBM272093
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-2-(3-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cn(nc2C1)-c1ncccc1F)C(=O)NO |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-11-13(4-2-5-14(11)20)19(18(26)24-27)8-12-10-25(23-16(12)9-19)17-15(21)6-3-7-22-17/h2-7,10,27H,8-9H2,1H3,(H,24,26)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 104n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...


US Patent US10457675 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F7J
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272093
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-2-(3-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cn(nc2C1)-c1ncccc1F)C(=O)NO |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-11-13(4-2-5-14(11)20)19(18(26)24-27)8-12-10-25(23-16(12)9-19)17-15(21)6-3-7-22-17/h2-7,10,27H,8-9H2,1H3,(H,24,26)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 104n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys...


US Patent US10065948 (2018)


BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair