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BDBM27774 N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide::biphenyl diamine analogue, 22

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1

InChI Key: InChIKey=STMBXLNGRWZRFX-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27774   
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))
BDBM27774
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1
Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM27774
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1
Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.62E+3n/an/an/an/an/a25



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair