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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 91628   
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)
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
26 -42.6n/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)
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
390 -36.0n/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)
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.20E+3 -33.2n/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: 10.1021/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))
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
5.00E+3 -31.5n/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
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
5.00E+3 -31.5n/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