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2 similar compounds to monomer 67701

Compile data set for download or QSAR
Wt: 324.8
BDBM152708
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Wt: 265.7
BDBM97262
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 152708,97262   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM97262
PNG
(3-chloranyl-N-cyclopropyl-6-methyl-1-benzothiophen...)
Show SMILES Cc1ccc2c(Cl)c(sc2c1)C(=O)NC1CC1
Show InChI InChI=1S/C13H12ClNOS/c1-7-2-5-9-10(6-7)17-12(11(9)14)13(16)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>7.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
Eis_Ban acetyltransferase (Eis_Ban)


(Bacillus anthracis str. Sterne)
BDBM152708
PNG
(3-Chloro-N-[3-(diethylamino)propyl]-1-benzothiophe...)
Show SMILES CCN(CC)CCCNC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C16H21ClN2OS/c1-3-19(4-2)11-7-10-18-16(20)15-14(17)12-8-5-6-9-13(12)21-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,20)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a8.0n/a



University of Kentucky



Assay Description
Briefly, reactions (200 μL) contained compounds 1−3 dissolved in Tris-HCl buffer (50 mM, pH 8.0, 10% DMSO) with a 5-fold serial dilution, ...


Biochemistry 54: 3197-206 (2015)


Article DOI: 10.1021/acs.biochem.5b00244
BindingDB Entry DOI: 10.7270/Q2TT4PP3
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM97262
PNG
(3-chloranyl-N-cyclopropyl-6-methyl-1-benzothiophen...)
Show SMILES Cc1ccc2c(Cl)c(sc2c1)C(=O)NC1CC1
Show InChI InChI=1S/C13H12ClNOS/c1-7-2-5-9-10(6-7)17-12(11(9)14)13(16)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair