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BDBM272080 (S)-5-(3-Fluoro-2-methylphenyl)-1-(5-fluoropyridin-2- yl)-N-hydroxy-1,4,5,6- tetrahydrocyclopenta[c]pyrazole-5-carboxamide::US10065948, 16::US10457675, Example 16

SMILES: Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cn1)C(=O)NO

InChI Key: InChIKey=MLPRQPVCQFCPSR-IBGZPJMESA-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 = 272080   
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))
BDBM272080
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(5-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cn1)C(=O)NO |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-11-14(3-2-4-15(11)21)19(18(26)24-27)7-12-9-23-25(16(12)8-19)17-6-5-13(20)10-22-17/h2-6,9-10,27H,7-8H2,1H3,(H,24,26)/t19-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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))
BDBM272080
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(5-fluoropyridin...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccc(F)cn1)C(=O)NO |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-11-14(3-2-4-15(11)21)19(18(26)24-27)7-12-9-23-25(16(12)8-19)17-6-5-13(20)10-22-17/h2-6,9-10,27H,7-8H2,1H3,(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 31n/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