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BDBM49229 MLS000087245::N-(3-imidazol-1-ylpropyl)-5-(2-thienyl)isoxazole-3-carboxamide::N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide::N-[3-(1-imidazolyl)propyl]-5-thiophen-2-yl-3-isoxazolecarboxamide::N-[3-(1H-imidazol-1-yl)propyl]-5-thien-2-ylisoxazole-3-carboxamide::SMR000023468::cid_3235911

SMILES: O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1

InChI Key: InChIKey=LRGVDHZAEYAHLG-UHFFFAOYSA-N

Data: 2 EC50

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 = 49229   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49229
PNG
(MLS000087245 | N-(3-imidazol-1-ylpropyl)-5-(2-thie...)
Show SMILES O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM49229
PNG
(MLS000087245 | N-(3-imidazol-1-ylpropyl)-5-(2-thie...)
Show SMILES O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 2.41E+4n/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 C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair