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BDBM50152947 4-[4-(2-bromo-5-fluorobenzyl)hexahydro-1-pyridinyl]spiro[cyclohexane-1,6''-(6'',8''-dihydro[1,3]dioxolo[5,4-e]isobenzofuran)]-8''-one::CHEMBL360790

SMILES: Fc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1

InChI Key: InChIKey=DATDUNSZEMGGEN-VLZXCDOPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152947   
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))
BDBM50152947
PNG
(4-[4-(2-bromo-5-fluorobenzyl)hexahydro-1-pyridinyl...)
Show SMILES Fc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1
Show InChI InChI=1S/C26H27BrFNO4/c27-21-3-1-18(28)14-17(21)13-16-7-11-29(12-8-16)19-5-9-26(10-6-19)20-2-4-22-24(32-15-31-22)23(20)25(30)33-26/h1-4,14,16,19H,5-13,15H2/t19-,26+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human- serotonin reuptake transmitter using [3H]-citalopram as a radioligand


Bioorg Med Chem Lett 14: 4467-70 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.050
BindingDB Entry DOI: 10.7270/Q2J67GC1
More data for this
Ligand-Target Pair