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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50210337'   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting


Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 expressed in human SH-EP1 cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated f...


Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 expressed in human SH-EP1 cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated f...


Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells after 9.5 mins by 86Rb+ efflux assay


Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells after 9.5 mins by 86Rb+ efflux assay


Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair