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BDBM86814 CAS_45266060::NSC_45266060::rac-3'-(4-nitrophenyl)deschloroepibatidine dihydrochloride

SMILES: [O-][N+](=O)c1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2

InChI Key: InChIKey=CRROBCHEYASOQD-UHFFFAOYSA-N

Data: 1 KI

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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 = 86814   
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


(Rattus norvegicus (Rat))
BDBM86814
PNG
(CAS_45266060 | NSC_45266060 | rac-3'-(4-nitrop...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:13:15:18.19:21|
Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-4-1-11(2-5-15)12-7-13(10-18-9-12)16-8-14-3-6-17(16)19-14/h1-2,4-5,7,9-10,14,16-17,19H,3,6,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by PDSP Ki Database




Bioorg Med Chem 16: 746-54 (2008)


Article DOI: 10.1016/j.bmc.2007.10.027
BindingDB Entry DOI: 10.7270/Q2H130KC
More data for this
Ligand-Target Pair