new BindingDB logo
myBDB logout

BDBM91637 22t::alpha7 agonists 22t

SMILES: CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1

InChI Key: InChIKey=IJXDDWYDVXFHLV-ACDBMABISA-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 = 91637   
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)
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
141 -9.18n/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)
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
700 -8.25n/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)
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
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
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>5.00E+3>-7.11n/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
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.20E+4 -6.98n/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-4


(Homo sapiens (Human))
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.20E+4 -6.98n/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))
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 9.00E+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