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SMILES: [H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12

InChI Key: InChIKey=HQDLJJQZMYAAPU-LSBZLQRGSA-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 3 hits for monomerid = 50508933   
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-3/beta-4


(Homo sapiens (Human))
BDBM50508933
PNG
(CHEMBL4461511)
Show SMILES [H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12 |r,t:3|
Show InChI InChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 960n/an/an/an/an/an/a



American University of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human AChR alpha3beta4 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated ...


J Nat Prod 82: 1953-1960 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00314
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50508933
PNG
(CHEMBL4461511)
Show SMILES [H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12 |r,t:3|
Show InChI InChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.53E+4n/an/an/an/an/an/a



American University of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human AChR alpha7 transfected in rat GH3 cells assessed as decrease in epibatidine-induced calcium influx incubated for 1 hr b...


J Nat Prod 82: 1953-1960 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00314
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50508933
PNG
(CHEMBL4461511)
Show SMILES [H][C@@]12CC=C(C)[C@@]([H])(C1)[C@]([H])(NC2(C)C)c1ccnc2ccccc12 |r,t:3|
Show InChI InChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



American University of Health Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human AChR alpha4beta2 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated ...


J Nat Prod 82: 1953-1960 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00314
More data for this
Ligand-Target Pair