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8 similar compounds to monomer 50049756

Wt: 218.2
BDBM86913
Wt: 206.2
BDBM50069828
Wt: 271.1
BDBM50069835
Wt: 207.2
BDBM50069848
Wt: 294.3
BDBM50049751
Purchase
Wt: 317.3
BDBM50049752
Wt: 249.2
BDBM50049758
Purchase
Wt: 317.3
BDBM50049755

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 86913,50069828,50069835,50069848,50049751,50049752,50049758,50049755   
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))
BDBM50069848
PNG
(5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-...)
Show SMILES CN1CCC[C@H]1COc1cncc(N)c1
Show InChI InChI=1S/C11H17N3O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8,12H2,1H3/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
0.630n/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))
BDBM50069828
PNG
(4-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cnccc1C
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-13-8-12(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

Similars

AffyNet 
PubMed
4.12n/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))
BDBM50069835
PNG
(4-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cnccc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
28n/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


(Rattus norvegicus (Rat))
BDBM86913
PNG
(3-((1-(pyrrolidin-1-yl)cyclopropyl)methoxy)pyridin...)
Show SMILES C(Oc1cccnc1)C1(CC1)N1CCCC1
Show InChI InChI=1S/C13H18N2O/c1-2-9-15(8-1)13(5-6-13)11-16-12-4-3-7-14-10-12/h3-4,7,10H,1-2,5-6,8-9,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



SERVIER, Chemistry Research Division A

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2188-93 (2008)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049755
PNG
(CHEMBL3623266)
Show SMILES COc1ccc(cn1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.01E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049752
PNG
(CHEMBL3623265)
Show SMILES COc1ccc(cn1)-c1csc(\C=C2\NC(=S)NC2=O)c1
Show InChI InChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 3.03E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049751
PNG
(CHEMBL3623264)
Show SMILES COc1cc(\C=C2\NC(=S)NC2=O)cc(OC)c1OC
Show InChI InChI=1S/C10H14N2O/c1-3-9(12-6-1)8-13-10-4-2-5-11-7-10/h2,4-5,7,9,12H,1,3,6,8H2/t9-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a 9.32E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049758
PNG
(CHEMBL3623267)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\NC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)

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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50069835
PNG
(4-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cnccc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/an/an/a>1.00E+6n/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))
BDBM50069828
PNG
(4-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cnccc1C
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-13-8-12(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

Similars

AffyNet 
PubMed
n/an/an/an/a 2.10E+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