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BDBM46449 5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide::5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-3-isoxazolecarboxamide::5-isobutyl-N-(2-thenyl)isoxazole-3-carboxamide::MLS000116394::SMR000093371::cid_5308177

SMILES: CC(C)Cc1cc(no1)C(=O)NCc1cccs1

InChI Key: InChIKey=RBXZNJFWQCCNPM-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 46449   
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
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46449
PNG
(5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-1,2-oxa...)
Show SMILES CC(C)Cc1cc(no1)C(=O)NCc1cccs1
Show InChI InChI=1S/C13H16N2O2S/c1-9(2)6-10-7-12(15-17-10)13(16)14-8-11-4-3-5-18-11/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM46449
PNG
(5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-1,2-oxa...)
Show SMILES CC(C)Cc1cc(no1)C(=O)NCc1cccs1
Show InChI InChI=1S/C13H16N2O2S/c1-9(2)6-10-7-12(15-17-10)13(16)14-8-11-4-3-5-18-11/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46449
PNG
(5-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-1,2-oxa...)
Show SMILES CC(C)Cc1cc(no1)C(=O)NCc1cccs1
Show InChI InChI=1S/C13H16N2O2S/c1-9(2)6-10-7-12(15-17-10)13(16)14-8-11-4-3-5-18-11/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair