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BDBM347488 US9790180, ID 021

SMILES: Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1

InChI Key: InChIKey=DYDICNDYGKZHEU-UHFFFAOYSA-N

Data: 3 IC50

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 = 347488   
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))
BDBM347488
PNG
(US9790180, ID 021)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 15n/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))
BDBM347488
PNG
(US9790180, ID 021)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 555n/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))
BDBM347488
PNG
(US9790180, ID 021)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)C2CCCCC2)cc1)-c1cccs1
Show InChI InChI=1S/C29H34N4O2S/c30-25-13-10-22(27-7-4-18-36-27)19-26(25)32-28(34)20-8-11-23(12-9-20)31-24-14-16-33(17-15-24)29(35)21-5-2-1-3-6-21/h4,7-13,18-19,21,24,31H,1-3,5-6,14-17,30H2,(H,32,34)
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 72n/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