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BDBM272076 (S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylphenyl)-N-hydroxy-1,4,5,6- tetrahydrocyclopenta[c]pyrazole-5-carboxamide::US10065948, 12::US10457675, Example 12

SMILES: Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C

InChI Key: InChIKey=MNFASYAMLRUQPF-QFIPXVFZSA-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 = 272076   
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))
BDBM272076
PNG
((S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
Show InChI InChI=1S/C22H22FN3O2/c1-13-7-8-14(2)19(9-13)26-20-11-22(21(27)25-28,10-16(20)12-24-26)17-5-4-6-18(23)15(17)3/h4-9,12,28H,10-11H2,1-3H3,(H,25,27)/t22-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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))
BDBM272076
PNG
((S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
Show InChI InChI=1S/C22H22FN3O2/c1-13-7-8-14(2)19(9-13)26-20-11-22(21(27)25-28,10-16(20)12-24-26)17-5-4-6-18(23)15(17)3/h4-9,12,28H,10-11H2,1-3H3,(H,25,27)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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