BindingDB logo
myBDB logout

2 similar compounds to monomer 50006616

Wt: 358.4
BDBM50006613
Wt: 358.4
BDBM50006615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50006613,50006615   
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


(Rattus norvegicus (Rat))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
22n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-alpha-BTX from rat alpha7 nAChR incubated for 30 mins


J Med Chem 56: 7574-89 (2013)

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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
141n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
230n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK293 cells


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta2


(Homo sapiens (Human))
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
292n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
562n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human)-HUMAN)
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
678n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
709n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
838n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

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


(HUMAN-Homo sapiens (human))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human)-HUMAN)
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

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


(HUMAN-Homo sapiens (human))
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN)
BDBM50006615
PNG
(CHEMBL3235483)
Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O
Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta2


(Homo sapiens (Human))
BDBM50006613
PNG
(CHEMBL3235480)
Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2
Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)

More data for this
Ligand-Target Pair