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SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCOCC2)cc1)-c1cccs1

InChI Key: InChIKey=HUJDFNGVYUQDRB-UHFFFAOYSA-N

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 3 hits for monomerid = 347489   
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))
BDBM347489
PNG
(US9790180, ID 022)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCOCC2)cc1)-c1cccs1
Show InChI InChI=1S/C28H32N4O3S/c29-24-8-5-21(26-2-1-17-36-26)18-25(24)31-27(33)19-3-6-22(7-4-19)30-23-9-13-32(14-10-23)28(34)20-11-15-35-16-12-20/h1-8,17-18,20,23,30H,9-16,29H2,(H,31,33)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM347489
PNG
(US9790180, ID 022)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCOCC2)cc1)-c1cccs1
Show InChI InChI=1S/C28H32N4O3S/c29-24-8-5-21(26-2-1-17-36-26)18-25(24)31-27(33)19-3-6-22(7-4-19)30-23-9-13-32(14-10-23)28(34)20-11-15-35-16-12-20/h1-8,17-18,20,23,30H,9-16,29H2,(H,31,33)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 203n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent




US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347489
PNG
(US9790180, ID 022)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCOCC2)cc1)-c1cccs1
Show InChI InChI=1S/C28H32N4O3S/c29-24-8-5-21(26-2-1-17-36-26)18-25(24)31-27(33)19-3-6-22(7-4-19)30-23-9-13-32(14-10-23)28(34)20-11-15-35-16-12-20/h1-8,17-18,20,23,30H,9-16,29H2,(H,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent




US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair