new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50040746   
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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR in human brain


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR by PDSP assay


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to alpha2beta2 nAChR by PDSP assay


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
148n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAChR in human brain


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399416
PNG
(CHEMBL2178871)
Show SMILES CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399425
PNG
(CHEMBL1835611 | CHEMBL1852406)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399416
PNG
(CHEMBL2178871)
Show SMILES CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399425
PNG
(CHEMBL1835611 | CHEMBL1852406)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 38.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399421
PNG
(CHEMBL2178333)
Show SMILES FCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399420
PNG
(CHEMBL2178336)
Show SMILES CCNC(=O)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399421
PNG
(CHEMBL2178333)
Show SMILES FCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399420
PNG
(CHEMBL2178336)
Show SMILES CCNC(=O)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C17H22N4O4/c1-2-19-17(22)23-6-4-13-8-16(25-21-13)12-7-15(10-18-9-12)24-11-14-3-5-20-14/h7-10,14,20H,2-6,11H2,1H3,(H,19,22)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399422
PNG
(CHEMBL2178332)
Show SMILES FC(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399422
PNG
(CHEMBL2178332)
Show SMILES FC(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79.4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399415
PNG
(CHEMBL2178872)
Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399415
PNG
(CHEMBL2178872)
Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399423
PNG
(CHEMBL2178331)
Show SMILES COCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399423
PNG
(CHEMBL2178331)
Show SMILES COCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399419
PNG
(CHEMBL2178337)
Show SMILES CCNC(=O)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C18H24N4O4/c1-2-20-18(23)24-7-5-14-9-17(26-22-14)13-8-16(11-19-10-13)25-12-15-4-3-6-21-15/h8-11,15,21H,2-7,12H2,1H3,(H,20,23)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399417
PNG
(CHEMBL2178870)
Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399414
PNG
(CHEMBL2178873)
Show SMILES CCc1cc(on1)-c1cncc(OC[C@H]2NC[C@@H]3C[C@H]23)c1 |r|
Show InChI InChI=1S/C16H19N3O2/c1-2-12-5-16(21-19-12)11-3-13(8-17-6-11)20-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18H,2,4,7,9H2,1H3/t10-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399413
PNG
(CHEMBL2178874)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@H]2NC[C@@H]3C[C@H]23)c1 |r|
Show InChI InChI=1S/C16H19N3O3/c20-2-1-12-5-16(22-19-12)11-3-13(8-17-6-11)21-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18,20H,1-2,4,7,9H2/t10-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399429
PNG
(CHEMBL2178328)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-1-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399428
PNG
(CHEMBL2178329)
Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C16H21N3O3/c20-6-2-4-13-8-16(22-19-13)12-7-15(10-17-9-12)21-11-14-3-1-5-18-14/h7-10,14,18,20H,1-6,11H2/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399426
PNG
(CHEMBL2178335)
Show SMILES C(Cc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1)N1CCOCC1 |r|
Show InChI InChI=1S/C19H26N4O3/c1-2-17(21-4-1)14-25-18-10-15(12-20-13-18)19-11-16(22-26-19)3-5-23-6-8-24-9-7-23/h10-13,17,21H,1-9,14H2/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399427
PNG
(CHEMBL2178334)
Show SMILES C(Cc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1)N1CCOCC1 |r|
Show InChI InChI=1S/C18H24N4O3/c1-3-20-16(1)13-24-17-9-14(11-19-12-17)18-10-15(21-25-18)2-4-22-5-7-23-8-6-22/h9-12,16,20H,1-8,13H2/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399424
PNG
(CHEMBL2178330)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)-c1cc(CCO)no1 |r|
Show InChI InChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399424
PNG
(CHEMBL2178330)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)-c1cc(CCO)no1 |r|
Show InChI InChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399418
PNG
(CHEMBL2178869)
Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399418
PNG
(CHEMBL2178869)
Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C21H22N4O4/c26-21(24-16-4-2-1-3-5-16)27-9-7-17-11-20(29-25-17)15-10-19(13-22-12-15)28-14-18-6-8-23-18/h1-5,10-13,18,23H,6-9,14H2,(H,24,26)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 427n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 427n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399427
PNG
(CHEMBL2178334)
Show SMILES C(Cc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1)N1CCOCC1 |r|
Show InChI InChI=1S/C18H24N4O3/c1-3-20-16(1)13-24-17-9-14(11-19-12-17)18-10-15(21-25-18)2-4-22-5-7-23-8-6-22/h9-12,16,20H,1-8,13H2/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399421
PNG
(CHEMBL2178333)
Show SMILES FCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 38.0n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399422
PNG
(CHEMBL2178332)
Show SMILES FC(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 66.1n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399423
PNG
(CHEMBL2178331)
Show SMILES COCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 95.5n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399424
PNG
(CHEMBL2178330)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)-c1cc(CCO)no1 |r|
Show InChI InChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 97.7n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399428
PNG
(CHEMBL2178329)
Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C16H21N3O3/c20-6-2-4-13-8-16(22-19-13)12-7-15(10-17-9-12)21-11-14-3-1-5-18-14/h7-10,14,18,20H,1-6,11H2/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399429
PNG
(CHEMBL2178328)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C15H19N3O3/c19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-1-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399425
PNG
(CHEMBL1835611 | CHEMBL1852406)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 42.7n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 1.10E+3n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 295n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399413
PNG
(CHEMBL2178874)
Show SMILES OCCc1cc(on1)-c1cncc(OC[C@H]2NC[C@@H]3C[C@H]23)c1 |r|
Show InChI InChI=1S/C16H19N3O3/c20-2-1-12-5-16(22-19-12)11-3-13(8-17-6-11)21-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18,20H,1-2,4,7,9H2/t10-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399414
PNG
(CHEMBL2178873)
Show SMILES CCc1cc(on1)-c1cncc(OC[C@H]2NC[C@@H]3C[C@H]23)c1 |r|
Show InChI InChI=1S/C16H19N3O2/c1-2-12-5-16(21-19-12)11-3-13(8-17-6-11)20-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18H,2,4,7,9H2,1H3/t10-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399415
PNG
(CHEMBL2178872)
Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 54n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399416
PNG
(CHEMBL2178871)
Show SMILES CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 51n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50399417
PNG
(CHEMBL2178870)
Show SMILES O=C(Nc1ccccc1)OCCc1cc(on1)-c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C22H24N4O4/c27-22(25-17-5-2-1-3-6-17)28-10-8-18-12-21(30-26-18)16-11-20(14-23-13-16)29-15-19-7-4-9-24-19/h1-3,5-6,11-14,19,24H,4,7-10,15H2,(H,25,27)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/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 assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...


J Med Chem 55: 9998-10009 (2012)


Article DOI: 10.1021/jm301177j
BindingDB Entry DOI: 10.7270/Q2CJ8FM1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 75 total )  |  Next  |  Last  >>
Jump to: