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BDBM53927 1-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(2-phenylethyl)thiourea::1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-phenylethyl)thiourea::1-[(5-bromothiophene-2-carbonyl)amino]-3-phenethyl-thiourea::1-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-3-(2-phenylethyl)thiourea::2-[(5-bromo-2-thienyl)carbonyl]-N-(2-phenylethyl)hydrazinecarbothioamide::MLS000662110::SMR000294017::cid_2205312

SMILES: Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1

InChI Key: InChIKey=QWAVJJBQEUWIDM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 53927   
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
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM53927
PNG
(1-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(2-ph...)
Show SMILES Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1
Show InChI InChI=1S/C14H14BrN3OS2/c15-12-7-6-11(21-12)13(19)17-18-14(20)16-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19)(H2,16,18,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.37E+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/Q2N58K09
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53927
PNG
(1-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(2-ph...)
Show SMILES Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1
Show InChI InChI=1S/C14H14BrN3OS2/c15-12-7-6-11(21-12)13(19)17-18-14(20)16-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19)(H2,16,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.19E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair