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BDBM87279 2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-phenyl-acetamide::2-chloro-N-(1,1-diketothiolan-3-yl)-N-phenyl-acetamide::2-chloro-N-(1,1-dioxo-3-thiolanyl)-N-phenylacetamide::2-chloro-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide::MLS000330976::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-N-phenyl-ethanamide::SMR000221075::cid_2772172

SMILES: ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1

InChI Key: InChIKey=KDRMKEHJVHITKA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 87279   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
PDB
MMDB

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UniProtKB/SwissProt

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MCE
PC cid
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UniChem

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PCBioAssay
n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
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PCBioAssay
n/an/a 6.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
PDB
MMDB

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KEGG

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DrugBank
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MCE
PC cid
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PCBioAssay
n/an/a 2.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87279
PNG
(2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thioph...)
Show SMILES ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair