BindingDB logo
myBDB logout

null

SMILES: O=C(NC1CCCC1)c1cc(on1)-c1cccs1

InChI Key: InChIKey=INCLMAFIIPBCRL-UHFFFAOYSA-N

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 = 39552   
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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39552
PNG
(MLS000087238 | N-cyclopentyl-5-(2-thienyl)isoxazol...)
Show SMILES O=C(NC1CCCC1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.03E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39552
PNG
(MLS000087238 | N-cyclopentyl-5-(2-thienyl)isoxazol...)
Show SMILES O=C(NC1CCCC1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.09E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2028PXQ
More data for this
Ligand-Target Pair