BDBM50299782 1-(2-((2,3-difluorophenoxy)methyl)phenyl)piperazine::CHEMBL575714

SMILES: Fc1cccc(OCc2ccccc2N2CCNCC2)c1F

InChI Key: InChIKey=KETAEAPLSWORIE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50299782   

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))	BDBM50299782 (1-(2-((2,3-difluorophenoxy)methyl)phenyl)piperazin...) Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1F Show InChI InChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50299782 (1-(2-((2,3-difluorophenoxy)methyl)phenyl)piperazin...) Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1F Show InChI InChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50299782 (1-(2-((2,3-difluorophenoxy)methyl)phenyl)piperazin...) Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1F Show InChI InChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50299782 (1-(2-((2,3-difluorophenoxy)methyl)phenyl)piperazin...) Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1F Show InChI InChI=1S/C17H18F2N2O/c18-14-5-3-7-16(17(14)19)22-12-13-4-1-2-6-15(13)21-10-8-20-9-11-21/h1-7,20H,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	781	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 6604-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z
					More data for this Ligand-Target Pair