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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine Binding protein' and Ligand = 'BDBM50417091'   
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)
BDBM50417091
PNG
(CHEMBL1258127)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)|
Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
562n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417091
PNG
(CHEMBL1258127)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)|
Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 871n/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair