BDBM50125902 (1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidin-3-ol::CHEMBL21213

SMILES: OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=SEGLRXUOVKIQDG-FPSALIRRSA-N

Data: 4 IC50

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 4 hits for monomerid = 50125902   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair