BDBM50432289 CHEMBL2347696

SMILES: FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=JEXOUFPHBGFBFW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50432289   

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))	BDBM50432289 (CHEMBL2347696) Show SMILES FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-10-30-11-5-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50432289 (CHEMBL2347696) Show SMILES FC(F)(F)c1cc(COCC2(CCCNCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H25F6NO/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-31-16-21(18-6-2-1-3-7-18)8-4-10-30-11-5-9-21/h1-3,6-7,12-14,30H,4-5,8-11,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W
					More data for this Ligand-Target Pair