BDBM50054749 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]diazepane::CHEMBL344990

SMILES: Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1

InChI Key: InChIKey=ALYNPRFOXHAEDW-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 = 50054749   

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 (Rattus norvegicus (rat))	BDBM50054749 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50054749 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at rat serotonin transporter				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054749 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of dopamine DA reuptake				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair