BDBM50062759 CHEMBL3397808

SMILES: COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1

InChI Key: InChIKey=VIJSZNHDABMWGG-ZLNRFVROSA-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 = 50062759   

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))	BDBM50062759 (CHEMBL3397808) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
Transporter (Rattus norvegicus)	BDBM50062759 (CHEMBL3397808) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 serotonin transporter (Rattus norvegicus (rat))	BDBM50062759 (CHEMBL3397808) Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	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