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BDBM50395219 CHEMBL2164665::US9150581, RTI-7527-193

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=LSPFRPGGOBZZFJ-UHFFFAOYSA-N

Data: 3 KI

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 = 50395219   
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
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395219
PNG
(CHEMBL2164665 | US9150581, RTI-7527-193)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.940n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395219
PNG
(CHEMBL2164665 | US9150581, RTI-7527-193)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay


J Med Chem 55: 6512-22 (2012)


Article DOI: 10.1021/jm300575y
BindingDB Entry DOI: 10.7270/Q2CV4JV0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395219
PNG
(CHEMBL2164665 | US9150581, RTI-7527-193)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair