Found 3 hits for monomerid = 50393256 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor protein alpha-7 subunit
(Homo sapiens (Human)) | BDBM50393256
(CHEMBL2113232)Show SMILES O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(3.94,-45.51,;2.1,-45.02,;1.41,-43.23,;-.5,-43.33,;-.99,-45.17,;.61,-46.21,;.7,-48.13,;-.38,-49.21,;0,-50.69,;1.48,-51.1,;2.16,-52.47,;3.68,-52.25,;3.93,-50.73,;2.57,-50.02,;2.19,-48.54,;-.83,-41.59,;-2.52,-40.84,;-4.34,-41.64,;-4.09,-43.36,;-2.18,-42.54,;-1.87,-40.18,;-2.43,-38.81,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(14-1-2-15-12(9-14)5-8-22-15)11-17(21-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc
Curated by ChEMBL
| Assay Description
Binding affinity to alpha7 nAChR |
J Med Chem 54: 7943-61 (2011)
Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50393256
(CHEMBL2113232)Show SMILES O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(3.94,-45.51,;2.1,-45.02,;1.41,-43.23,;-.5,-43.33,;-.99,-45.17,;.61,-46.21,;.7,-48.13,;-.38,-49.21,;0,-50.69,;1.48,-51.1,;2.16,-52.47,;3.68,-52.25,;3.93,-50.73,;2.57,-50.02,;2.19,-48.54,;-.83,-41.59,;-2.52,-40.84,;-4.34,-41.64,;-4.09,-43.36,;-2.18,-42.54,;-1.87,-40.18,;-2.43,-38.81,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(14-1-2-15-12(9-14)5-8-22-15)11-17(21-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50393256
(CHEMBL2113232)Show SMILES O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(3.94,-45.51,;2.1,-45.02,;1.41,-43.23,;-.5,-43.33,;-.99,-45.17,;.61,-46.21,;.7,-48.13,;-.38,-49.21,;0,-50.69,;1.48,-51.1,;2.16,-52.47,;3.68,-52.25,;3.93,-50.73,;2.57,-50.02,;2.19,-48.54,;-.83,-41.59,;-2.52,-40.84,;-4.34,-41.64,;-4.09,-43.36,;-2.18,-42.54,;-1.87,-40.18,;-2.43,-38.81,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(14-1-2-15-12(9-14)5-8-22-15)11-17(21-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 54: 7943-61 (2011)
Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP |
More data for this
Ligand-Target Pair | |
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