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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 = 'BDBM91619'   
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


(Aplysia Californica)
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
60 -40.5n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
120 -38.8n/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)
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
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