BDBM50048175 CHEMBL3310482

SMILES: Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1

InChI Key: InChIKey=LWGULHIUMBMSRR-UHFFFAOYSA-N

Data: 3 IC50

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 = 50048175   

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 serotonin transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair