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5 similar compounds to monomer 50056147

Wt: 178.2
BDBM50450746
Wt: 206.2
BDBM50056148
Wt: 206.2
BDBM50056149
Wt: 192.2
BDBM50056150
Purchase
Wt: 206.2
BDBM50069826

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50450746,50056148,50056149,50056150,50069826   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


(Rattus norvegicus (Rat))
BDBM50069826
PNG
(2-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(C)nc1
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-12(8-13-10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
1.26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50450746
PNG
(CHEMBL441069)
Show SMILES Cc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C10H14N2O/c1-8-10(3-2-5-11-8)13-7-9-4-6-12-9/h2-3,5,9,12H,4,6-7H2,1H3/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand


Bioorg Med Chem Lett 8: 2797-802 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50056148
PNG
(2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
22.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50056149
PNG
(2-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [125I]-alpha-bungarotoxin from K-28 cells stably express human Nicotinic...


J Med Chem 40: 385-90 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50056148
PNG
(2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [125I]-alpha-bungarotoxin from K-28 cells stably express human Nicotinic...


J Med Chem 40: 385-90 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50056150
PNG
(2-Methyl-3-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine...)
Show SMILES Cc1ncccc1OC[C@H]1CCCN1
Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [125I]-alpha-bungarotoxin from K-28 cells stably express human Nicotinic...


J Med Chem 40: 385-90 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50056148
PNG
(2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50069826
PNG
(2-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(C)nc1
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-12(8-13-10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)

More data for this
Ligand-Target Pair