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BDBM91622 22q::alpha7 agonists 22q

SMILES: CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12

InChI Key: InChIKey=BUBYZNFTXXPLCS-MZADTFQBSA-N

Data: 6 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 7 hits for monomerid = 91622   
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)
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
160 -9.11n/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)
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
200 -8.98n/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)
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
300 -8.74n/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)
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
900 -8.10n/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))
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
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))
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
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))
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 400n/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