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SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C

InChI Key: InChIKey=FLMFVONYZLSMMT-TWYXQDJOSA-N

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 = 50454830   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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Article
PubMed
0.430n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.


J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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50n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen


J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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PC sid
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Article
PubMed
50n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand


J Med Chem 43: 4151-9 (2000)


Article DOI: 10.1021/jm990472s
BindingDB Entry DOI: 10.7270/Q2PK0JWZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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PubMed
n/an/a 140n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen


J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair