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BDBM50419740 CHEMBL1946189

SMILES: C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12

InChI Key: InChIKey=PJSJQZZEIMTJHQ-UXXLAEJSSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50419740   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)

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


(Homo sapiens (human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)

More data for this
Ligand-Target Pair