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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine Binding protein' and Ligand = 'BDBM91624'   
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)
BDBM91624
PNG
(alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.30 -49.9n/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)
BDBM91624
PNG
(alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
16 -43.8n/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)
BDBM91624
PNG
(alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
109 -39.1n/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)
BDBM91624
PNG
(alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
600 -34.9n/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