BDBM50062752 CHEMBL3397805

SMILES: COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1

InChI Key: InChIKey=DYEKBEVOKIMFQI-SDHSZQHLSA-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 = 50062752   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50062752 (CHEMBL3397805) Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062752 (CHEMBL3397805) Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50062752 (CHEMBL3397805) Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	577	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair