BDBM50062761 CHEMBL3397810

SMILES: Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=UDLPJHJXNMHWEW-UPVQGACJSA-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 = 50062761   

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)	BDBM50062761 (CHEMBL3397810) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50062761 (CHEMBL3397810) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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))	BDBM50062761 (CHEMBL3397810) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	334	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