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BDBM50211007 CHEMBL394089::methyl 2-(4-tert-butylphenyl)cyclohexanecarboxylate

SMILES: COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=NWZPRTYDJDHZJI-HZPDHXFCSA-N

Data: 3 KI

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 = 50211007   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50211007
PNG
(CHEMBL394089 | methyl 2-(4-tert-butylphenyl)cycloh...)
Show SMILES COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H26O2/c1-18(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)17(19)20-4/h9-12,15-16H,5-8H2,1-4H3/t15-,16-/m1/s1
Reactome pathway
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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.75E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50211007
PNG
(CHEMBL394089 | methyl 2-(4-tert-butylphenyl)cycloh...)
Show SMILES COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H26O2/c1-18(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)17(19)20-4/h9-12,15-16H,5-8H2,1-4H3/t15-,16-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.66E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50211007
PNG
(CHEMBL394089 | methyl 2-(4-tert-butylphenyl)cycloh...)
Show SMILES COC(=O)[C@@H]1CCCC[C@@H]1c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H26O2/c1-18(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)17(19)20-4/h9-12,15-16H,5-8H2,1-4H3/t15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.12E+6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair