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BDBM163625 SR-3210::US10807944, Compound RLS2-133

SMILES: CCCCNNC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SOFXANVWFFBJSR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 163625   
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
HDAC1/NCOR2


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Florida College of Medicine; Northwest Agriculture and Forestry University



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
HDAC2/NCOR2


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Florida College of Medicine; Northwest Agriculture and Forestry University



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 950n/an/an/an/an/an/a



University of Florida Research Foundation, Inc.; The Scripps Research Institute

US Patent


Assay Description
These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...


US Patent US10807944 (2020)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.75E+3n/an/an/an/an/an/a



University of Florida Research Foundation, Inc.; The Scripps Research Institute

US Patent


Assay Description
These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...


US Patent US10807944 (2020)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 2


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
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 5.82E+3n/an/an/an/an/an/a



University of Florida Research Foundation, Inc.; The Scripps Research Institute

US Patent


Assay Description
These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...


US Patent US10807944 (2020)

More data for this
Ligand-Target Pair
HDAC3/NCOR2


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Florida College of Medicine; Northwest Agriculture and Forestry University



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair