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BDBM50196766 CHEMBL3974954

SMILES: CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

InChI Key: InChIKey=WSGMHEHWZCPQNM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50196766   
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 2


(Homo sapiens (Human))
BDBM50196766
PNG
(CHEMBL3974954)
Show SMILES CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h6-12,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)
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Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50196766
PNG
(CHEMBL3974954)
Show SMILES CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h6-12,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)
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Article
PubMed
n/an/a 566n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50196766
PNG
(CHEMBL3974954)
Show SMILES CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h6-12,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50196766
PNG
(CHEMBL3974954)
Show SMILES CCOc1ccc(Oc2ccc(cc2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O5/c1-4-17-19-20(28(3)26-17)23(30)25-21(24-19)16-12-15(10-11-18(16)32-5-2)33-14-8-6-13(7-9-14)22(29)27-31/h6-12,31H,4-5H2,1-3H3,(H,27,29)(H,24,25,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 196n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...


J Med Chem 59: 8967-9004 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00908
BindingDB Entry DOI: 10.7270/Q2KP8448
More data for this
Ligand-Target Pair