null

SMILES: CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

InChI Key: InChIKey=UKNINZMNBQHDAV-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234222   

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))	BDBM50234222 (CHEMBL4100796) Show SMILES CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234222 (CHEMBL4100796) Show SMILES CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta sc...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair