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SMILES: CC1(CCN(CC1)C(=O)N1CCOCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1

InChI Key: InChIKey=ALJZWGALMROPET-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 = 347496   
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))
BDBM347496
PNG
(US9790180, ID 029)
Show SMILES CC1(CCN(CC1)C(=O)N1CCOCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1
Show InChI InChI=1S/C29H34N6O3/c1-29(10-14-34(15-11-29)28(37)35-16-18-38-19-17-35)33-24-5-2-22(3-6-24)27(36)32-26-20-23(4-7-25(26)30)21-8-12-31-13-9-21/h2-9,12-13,20,33H,10-11,14-19,30H2,1H3,(H,32,36)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM347496
PNG
(US9790180, ID 029)
Show SMILES CC1(CCN(CC1)C(=O)N1CCOCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1
Show InChI InChI=1S/C29H34N6O3/c1-29(10-14-34(15-11-29)28(37)35-16-18-38-19-17-35)33-24-5-2-22(3-6-24)27(36)32-26-20-23(4-7-25(26)30)21-8-12-31-13-9-21/h2-9,12-13,20,33H,10-11,14-19,30H2,1H3,(H,32,36)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 541n/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))
BDBM347496
PNG
(US9790180, ID 029)
Show SMILES CC1(CCN(CC1)C(=O)N1CCOCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1
Show InChI InChI=1S/C29H34N6O3/c1-29(10-14-34(15-11-29)28(37)35-16-18-38-19-17-35)33-24-5-2-22(3-6-24)27(36)32-26-20-23(4-7-25(26)30)21-8-12-31-13-9-21/h2-9,12-13,20,33H,10-11,14-19,30H2,1H3,(H,32,36)
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 17n/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