BDBM50359597 CHEMBL1927871

SMILES: CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=CGCBXGNUYNOKMM-WIOQJERESA-N

Data: 3 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 3 hits for monomerid = 50359597   

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))	BDBM50359597 (CHEMBL1927871) Show SMILES CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H29F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h3-10,13,23-25H,2,11-12,14-17H2,1H3/b18-13-/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50359597 (CHEMBL1927871) Show SMILES CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H29F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h3-10,13,23-25H,2,11-12,14-17H2,1H3/b18-13-/t23-,24+/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain cortex membranes after 1 hr				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50359597 (CHEMBL1927871) Show SMILES CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H29F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h3-10,13,23-25H,2,11-12,14-17H2,1H3/b18-13-/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair