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BDBM91627 12t::alpha7 agonists 12t

SMILES: CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1

InChI Key: InChIKey=MKJMQJPHIUSFQY-BTTYYORXSA-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 = 91627   
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)
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
PDB

UniProtKB/SwissProt

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)
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.40E+3 -7.85n/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)
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
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
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
2.00E+4 -6.66n/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))
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
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))
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a>3.00E+4n/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