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BDBM272067 (S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)- N-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-5- carboxamide::US10065948, 3::US10457675, Example 3

SMILES: Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO

InChI Key: InChIKey=IXCFRNUMYXMRAI-FQEVSTJZSA-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 = 272067   
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))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r|
Show InChI InChI=1S/C20H17F2N3O2/c1-12-14(5-4-7-15(12)21)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-16(17)22/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r|
Show InChI InChI=1S/C20H17F2N3O2/c1-12-14(5-4-7-15(12)21)20(19(26)24-27)9-13-11-23-25(18(13)10-20)17-8-3-2-6-16(17)22/h2-8,11,27H,9-10H2,1H3,(H,24,26)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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