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SMILES: CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12

InChI Key: InChIKey=DEZIQNCPVPFWEE-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001810   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 500n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 15n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair