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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 91637   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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

Similars

Article
PubMed
141 -38.4n/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: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Soluble acetylcholine receptor


(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

Similars

Article
PubMed
700 -34.5n/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: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Soluble acetylcholine receptor


(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

Similars

Article
PubMed
800 -34.2n/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: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Soluble acetylcholine receptor


(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

Similars

Article
PubMed
>5.00E+3>-29.7n/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: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(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

Similars

Article
PubMed
1.20E+4 -29.2n/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: 10.1124/mol.112.080291
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

Similars

Article
PubMed
1.20E+4 -29.2n/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: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair