BDBM50211004 CHEMBL438321::methyl 2-(4-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate

SMILES: COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=YZXXWGROTHDVOH-UHFFFAOYSA-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 = 50211004   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50211004 (CHEMBL438321 | methyl 2-(4-(trifluoromethyl)phenyl...) Show SMILES COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F |t:4| Show InChI InChI=1S/C15H15F3O2/c1-20-14(19)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9H,2-5H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 noradrenaline transporter (Homo sapiens (Human))	BDBM50211004 (CHEMBL438321 | methyl 2-(4-(trifluoromethyl)phenyl...) Show SMILES COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F |t:4| Show InChI InChI=1S/C15H15F3O2/c1-20-14(19)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9H,2-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 serotonin transporter (Homo sapiens (Human))	BDBM50211004 (CHEMBL438321 | methyl 2-(4-(trifluoromethyl)phenyl...) Show SMILES COC(=O)C1=C(CCCC1)c1ccc(cc1)C(F)(F)F |t:4| Show InChI InChI=1S/C15H15F3O2/c1-20-14(19)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.71E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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