new BindingDB logo
myBDB logout

BDBM91599 2'::alpha7 agonists 2'

SMILES: CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12

InChI Key: InChIKey=ZOYUMSGTEIJUPZ-UHFFFAOYSA-N

Data: 5 KI  1 EC50

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 6 hits for monomerid = 91599   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
40 -9.92n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
210 -8.95n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
800 -8.17n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>3.00E+4>-6.41n/an/an/an/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>3.00E+4>-6.41n/an/an/an/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 4.20E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair