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SMILES: OCCN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=NCZRXRGIUPSHIH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50001994   
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
5-hydroxytryptamine receptor 2A/2B/2C


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001994
PNG
(2-{4-[1-(4-Fluoro-phenyl)-5-trifluoromethyl-1H-ind...)
Show SMILES OCCN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C21H21F4N3O/c22-16-2-4-17(5-3-16)28-14-20(27-9-7-26(8-10-27)11-12-29)18-13-15(21(23,24)25)1-6-19(18)28/h1-6,13-14,29H,7-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]ketanserin binding to dopamine 5-hydroxytryptamine 2 receptor


J Med Chem 35: 1092-101 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89BB3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001994
PNG
(2-{4-[1-(4-Fluoro-phenyl)-5-trifluoromethyl-1H-ind...)
Show SMILES OCCN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C21H21F4N3O/c22-16-2-4-17(5-3-16)28-14-20(27-9-7-26(8-10-27)11-12-29)18-13-15(21(23,24)25)1-6-19(18)28/h1-6,13-14,29H,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


J Med Chem 35: 1092-101 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89BB3
More data for this
Ligand-Target Pair