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BDBM337657 US10227295, Compound 9a::US9751832, Compound 9a::US9956192, Compound 9a

SMILES: OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1

InChI Key: InChIKey=BYHCEWJXJQSUEV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 337657   
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 1


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.06E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9751832 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KBR
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/an/an/an/an/an/a



KuDOS Pharmaceuticals Ltd.



Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


J Med Chem 51: 6581-91 (2008)


BindingDB Entry DOI: 10.7270/Q2BZ68CW
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
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PC cid
PC sid
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US Patent
n/an/a 8.30n/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


J Med Chem 51: 196-218 (2008)


BindingDB Entry DOI: 10.7270/Q2VD71RF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.06E+3n/an/an/an/an/an/a



KuDOS Pharmaceuticals Ltd.



Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


J Med Chem 51: 6581-91 (2008)


BindingDB Entry DOI: 10.7270/Q2BZ68CW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM337657
PNG
(US10227295, Compound 9a | US9751832, Compound 9a |...)
Show SMILES OCc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c20-10-12-3-7-14(8-4-12)18-16(22)17-9-11-1-5-13(6-2-11)15(21)19-23/h1-8,20,23H,9-10H2,(H,19,21)(H2,17,18,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.06E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


J Med Chem 51: 196-218 (2008)


BindingDB Entry DOI: 10.7270/Q2VD71RF
More data for this
Ligand-Target Pair