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BDBM50379944 CHEMBL2012104

SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccco1)O2

InChI Key: InChIKey=UKUHBVAGJJSXOV-OUEMLRLSNA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379944   
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))
BDBM50379944
PNG
(CHEMBL2012104)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccco1)O2
Show InChI InChI=1/C19H20O4/c1-21-19(20)18-15(11-14-8-9-17(18)23-14)12-4-6-13(7-5-12)16-3-2-10-22-16/h2-7,10,14-15,17-18H,8-9,11H2,1H3/t14?,15-,17?,18+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



TUBITAK MAM Chemistry Institute P K 21 Gebze

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human serotonin transporter


Bioorg Med Chem 20: 2762-72 (2012)


Article DOI: 10.1016/j.bmc.2012.01.053
BindingDB Entry DOI: 10.7270/Q2HD7WNB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50379944
PNG
(CHEMBL2012104)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccco1)O2
Show InChI InChI=1/C19H20O4/c1-21-19(20)18-15(11-14-8-9-17(18)23-14)12-4-6-13(7-5-12)16-3-2-10-22-16/h2-7,10,14-15,17-18H,8-9,11H2,1H3/t14?,15-,17?,18+/s2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



TUBITAK MAM Chemistry Institute P K 21 Gebze

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human dopamine active transporter


Bioorg Med Chem 20: 2762-72 (2012)


Article DOI: 10.1016/j.bmc.2012.01.053
BindingDB Entry DOI: 10.7270/Q2HD7WNB
More data for this
Ligand-Target Pair