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SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1cccs1

InChI Key: InChIKey=QOYGMFSRUKDDBE-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 = 347472   
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))
BDBM347472
PNG
(US9790180, ID 006)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C27H31N5O2S/c28-23-10-7-20(25-4-3-17-35-25)18-24(23)30-26(33)19-5-8-21(9-6-19)29-22-11-15-32(16-12-22)27(34)31-13-1-2-14-31/h3-10,17-18,22,29H,1-2,11-16,28H2,(H,30,33)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/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))
BDBM347472
PNG
(US9790180, ID 006)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C27H31N5O2S/c28-23-10-7-20(25-4-3-17-35-25)18-24(23)30-26(33)19-5-8-21(9-6-19)29-22-11-15-32(16-12-22)27(34)31-13-1-2-14-31/h3-10,17-18,22,29H,1-2,11-16,28H2,(H,30,33)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 274n/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))
BDBM347472
PNG
(US9790180, ID 006)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C27H31N5O2S/c28-23-10-7-20(25-4-3-17-35-25)18-24(23)30-26(33)19-5-8-21(9-6-19)29-22-11-15-32(16-12-22)27(34)31-13-1-2-14-31/h3-10,17-18,22,29H,1-2,11-16,28H2,(H,30,33)
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 22n/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