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1 similar compounds to monomer 51838

Wt: 364.5
BDBM48094
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 48094   
Target
(Institution)
LigandTarget
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
Beta-galactosidase


(Escherichia coli)
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 1.67E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a>5.60E+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) Center Affiliation: The Scripps Research Institute (TS...


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 1.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.76E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair