BDBM50084336 CHEMBL69380::[1-(2-Benzhydryloxy-ethyl)-piperidin-3-ylmethyl]-[2-(4-fluoro-phenyl)-ethyl]-methyl-amine

SMILES: CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1

InChI Key: InChIKey=XVRWPBKYLFMIHN-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50084336   

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 (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter using [125I]RTI-55				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake in HEK293 cells expressing human serotonin transporter				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084336 (CHEMBL69380 | [1-(2-Benzhydryloxy-ethyl)-piperidin...) Show SMILES CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells				J Med Chem 43: 205-13 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MW0
					More data for this Ligand-Target Pair