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SMILES: CN1CCN(CC1)C(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=GJWLHBFJISQVTA-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 = 347477   
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))
BDBM347477
PNG
(US9790180, ID 011)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H34N8O2S/c1-27(7-9-34(10-8-27)26(37)35-13-11-33(2)12-14-35)32-25-29-17-20(18-30-25)24(36)31-22-16-19(5-6-21(22)28)23-4-3-15-38-23/h3-6,15-18H,7-14,28H2,1-2H3,(H,31,36)(H,29,30,32)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.5n/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))
BDBM347477
PNG
(US9790180, ID 011)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H34N8O2S/c1-27(7-9-34(10-8-27)26(37)35-13-11-33(2)12-14-35)32-25-29-17-20(18-30-25)24(36)31-22-16-19(5-6-21(22)28)23-4-3-15-38-23/h3-6,15-18H,7-14,28H2,1-2H3,(H,31,36)(H,29,30,32)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 201n/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))
BDBM347477
PNG
(US9790180, ID 011)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(C)(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H34N8O2S/c1-27(7-9-34(10-8-27)26(37)35-13-11-33(2)12-14-35)32-25-29-17-20(18-30-25)24(36)31-22-16-19(5-6-21(22)28)23-4-3-15-38-23/h3-6,15-18H,7-14,28H2,1-2H3,(H,31,36)(H,29,30,32)
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 32n/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