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5 similar compounds to monomer 50410989

Compile data set for download or QSAR
Wt: 377.2
BDBM50190677
Wt: 326.3
BDBM50190686
Wt: 326.3
BDBM50410986
Wt: 312.3
BDBM50410988
Wt: 298.3
BDBM50410990

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50190677,50190686,50410986,50410988,50410990   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50410986
PNG
(CHEMBL2113242)
Show SMILES CCc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C19H22N2O3/c1-2-13-10-23-17-4-3-15(9-16(13)17)21-12-19(24-18(21)22)11-20-7-5-14(19)6-8-20/h3-4,9-10,14H,2,5-8,11-12H2,1H3/t19-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50410988
PNG
(CHEMBL2113241)
Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C18H20N2O3/c1-12-9-22-16-3-2-14(8-15(12)16)20-11-18(23-17(20)21)10-19-6-4-13(18)5-7-19/h2-3,8-9,13H,4-7,10-11H2,1H3/t18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50410990
PNG
(CHEMBL2113228)
Show SMILES O=C1O[C@@]2(CN1c1ccc3occc3c1)CN1CCC2CC1
Show InChI InChI=1S/C17H18N2O3/c20-16-19(14-1-2-15-12(9-14)5-8-21-15)11-17(22-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50410988
PNG
(CHEMBL2113241)
Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C18H20N2O3/c1-12-9-22-16-3-2-14(8-15(12)16)20-11-18(23-17(20)21)10-19-6-4-13(18)5-7-19/h2-3,8-9,13H,4-7,10-11H2,1H3/t18-/m1/s1
PDB

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1
PDB

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GoogleScholar
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PC cid
PC sid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O
Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 49: 4374-83 (2006)


Article DOI: 10.1021/jm060249c
BindingDB Entry DOI: 10.7270/Q2BR8T08
More data for this
Ligand-Target Pair