BDBM50139956 3-[4-((Z)-2-Bromo-vinyl)-phenyl]-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL14531

SMILES: COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2

InChI Key: InChIKey=PETAHELMBJGYJY-HJWRWDBZSA-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 = 50139956   

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 (Homo sapiens (Human))	BDBM50139956 (3-[4-((Z)-2-Bromo-vinyl)-phenyl]-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20BrNO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells				J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50139956 (3-[4-((Z)-2-Bromo-vinyl)-phenyl]-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20BrNO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined against human norepinephrin transporter in human embryonic kidney cell line by using [125I]-...				J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50139956 (3-[4-((Z)-2-Bromo-vinyl)-phenyl]-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20BrNO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]-RTI-55 as radioligand				J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7
					More data for this Ligand-Target Pair