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SMILES: Nc1ccc(cc1NC(=O)c1cnc(nc1)N1CCCC11CCN(CC1)C(=O)N1CCCC1)-c1cccs1

InChI Key: InChIKey=MAAMKHKIOBWUDC-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 = 347484   
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))
BDBM347484
PNG
(US9790180, ID 018)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(nc1)N1CCCC11CCN(CC1)C(=O)N1CCCC1)-c1cccs1
Show InChI InChI=1S/C28H33N7O2S/c29-22-7-6-20(24-5-3-16-38-24)17-23(22)32-25(36)21-18-30-26(31-19-21)35-13-4-8-28(35)9-14-34(15-10-28)27(37)33-11-1-2-12-33/h3,5-7,16-19H,1-2,4,8-15,29H2,(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))
BDBM347484
PNG
(US9790180, ID 018)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(nc1)N1CCCC11CCN(CC1)C(=O)N1CCCC1)-c1cccs1
Show InChI InChI=1S/C28H33N7O2S/c29-22-7-6-20(24-5-3-16-38-24)17-23(22)32-25(36)21-18-30-26(31-19-21)35-13-4-8-28(35)9-14-34(15-10-28)27(37)33-11-1-2-12-33/h3,5-7,16-19H,1-2,4,8-15,29H2,(H,32,36)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 516n/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))
BDBM347484
PNG
(US9790180, ID 018)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(nc1)N1CCCC11CCN(CC1)C(=O)N1CCCC1)-c1cccs1
Show InChI InChI=1S/C28H33N7O2S/c29-22-7-6-20(24-5-3-16-38-24)17-23(22)32-25(36)21-18-30-26(31-19-21)35-13-4-8-28(35)9-14-34(15-10-28)27(37)33-11-1-2-12-33/h3,5-7,16-19H,1-2,4,8-15,29H2,(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 78n/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