BDBM50062757 CHEMBL3397795

SMILES: COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O

InChI Key: InChIKey=DCNGWBRYVSTJTB-RQTOMXEWSA-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 = 50062757   

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)	BDBM50062757 (CHEMBL3397795) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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))	BDBM50062757 (CHEMBL3397795) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	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))	BDBM50062757 (CHEMBL3397795) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	281	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