BDBM50401736 CHEMBL2206533

SMILES: COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1

InChI Key: InChIKey=HYXFPJJRAOYSTI-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 = 50401736   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50401736 (CHEMBL2206533) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1 Show InChI InChI=1S/C18H20FNO/c1-12-4-5-13(9-18(12)19)17-11-20(2)10-14-8-15(21-3)6-7-16(14)17/h4-9,17H,10-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human NET				Bioorg Med Chem Lett 22: 7219-22 (2012) Article DOI: 10.1016/j.bmcl.2012.09.050 BindingDB Entry DOI: 10.7270/Q20K29QC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50401736 (CHEMBL2206533) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1 Show InChI InChI=1S/C18H20FNO/c1-12-4-5-13(9-18(12)19)17-11-20(2)10-14-8-15(21-3)6-7-16(14)17/h4-9,17H,10-11H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 22: 7219-22 (2012) Article DOI: 10.1016/j.bmcl.2012.09.050 BindingDB Entry DOI: 10.7270/Q20K29QC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50401736 (CHEMBL2206533) Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(C)c(F)c1 Show InChI InChI=1S/C18H20FNO/c1-12-4-5-13(9-18(12)19)17-11-20(2)10-14-8-15(21-3)6-7-16(14)17/h4-9,17H,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 22: 7219-22 (2012) Article DOI: 10.1016/j.bmcl.2012.09.050 BindingDB Entry DOI: 10.7270/Q20K29QC
					More data for this Ligand-Target Pair