BDBM50175155 2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3.2.1]octan-8-yl)ethanamine::2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethylamine::CHEMBL199166

SMILES: NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=HKONLYZKJHOXAP-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50175155   

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))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-from DAT in rat brain membrane				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen				J Med Chem 43: 1085-93 (2000) BindingDB Entry DOI: 10.7270/Q2M61KZ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.				J Med Chem 47: 3388-98 (2004) Article DOI: 10.1021/jm030646c BindingDB Entry DOI: 10.7270/Q2WS8TZ4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Ability of compound to inhibit dopamine uptake of receptor was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.				J Med Chem 47: 3388-98 (2004) Article DOI: 10.1021/jm030646c BindingDB Entry DOI: 10.7270/Q2WS8TZ4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.				J Med Chem 43: 1085-93 (2000) BindingDB Entry DOI: 10.7270/Q2M61KZ7
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat brain				J Med Chem 47: 3388-98 (2004) Article DOI: 10.1021/jm030646c BindingDB Entry DOI: 10.7270/Q2WS8TZ4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.				J Med Chem 47: 3388-98 (2004) Article DOI: 10.1021/jm030646c BindingDB Entry DOI: 10.7270/Q2WS8TZ4
					More data for this Ligand-Target Pair