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SMILES: CNCc1cc(OCc2cc(F)ccc2F)n(CC2CC3CCC2C3)n1

InChI Key:

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 3 hits for monomerid = 592980   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM592980
PNG
(US11576897, Example 117)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CC3CCC2C3)n1 |TLB:17:18:21.22:24|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J67MVZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM592980
PNG
(US11576897, Example 117)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CC3CCC2C3)n1 |TLB:17:18:21.22:24|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.760n/an/an/an/an/an/an/an/a


TBA

Assay Description
5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J67MVZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens)
BDBM592980
PNG
(US11576897, Example 117)
Show SMILES CNCc1cc(OCc2cc(F)ccc2F)n(CC2CC3CCC2C3)n1 |TLB:17:18:21.22:24|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J67MVZ
More data for this
Ligand-Target Pair