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BDBM114988 2,3,4,7,8,9,10,11-octahydro-1H-[1]benzothieno[2,3-b]cyclohepta[e]pyridin-12-amine::MLS000570484::SMR000186910::cid_744115

SMILES: Nc1c2CCCCCc2nc2sc3CCCCc3c12

InChI Key: InChIKey=INQNGSMMHYFCSF-UHFFFAOYSA-N

Data: 1 EC50

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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 = 114988   
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))
BDBM114988
PNG
(2,3,4,7,8,9,10,11-octahydro-1H-[1]benzothieno[2,3-...)
Show SMILES Nc1c2CCCCCc2nc2sc3CCCCc3c12
Show InChI InChI=1S/C16H20N2S/c17-15-10-6-2-1-3-8-12(10)18-16-14(15)11-7-4-5-9-13(11)19-16/h1-9H2,(H2,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.76E+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