BDBM50210951 (1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate::CHEMBL394157

SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2

InChI Key: InChIKey=KHYFCJWXLVZFLY-QXSJWSMHSA-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 = 50210951   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50210951 ((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50210951 ((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50210951 ((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair