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SMILES: Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccco1

InChI Key: InChIKey=LEXHQYYEOGWFKR-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 115034   
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))		BDBM115034
PNG
(1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-...)
Show SMILES Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccco1
Show InChI InChI=1S/C17H17N3O2S/c1-12-9-15(13(2)20(12)10-14-5-3-8-22-14)16(21)11-23-17-18-6-4-7-19-17/h3-9H,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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