BDBM50005550 8-Allyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL48225

SMILES: COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2CC=C

InChI Key: InChIKey=BNBZBLRBYOEGLO-ZKDDFBJFSA-N

Data: 2 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 2 hits for monomerid = 50005550   

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))	BDBM50005550 (8-Allyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...) Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2CC=C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H22FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h3-7,14-17H,1,8-11H2,2H3/t14?,15-,16?,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]cocaine binding to the dopamine transporter.				J Med Chem 35: 969-81 (1992) BindingDB Entry DOI: 10.7270/Q24T6K0F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005550 (8-Allyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oc...) Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2CC=C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H22FNO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h3-7,14-17H,1,8-11H2,2H3/t14?,15-,16?,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of specifically bound [3H]- cocaine (2.7 nM) against Dopamine transporter in cynomolgus monkeys				J Med Chem 34: 1728-31 (1991) BindingDB Entry DOI: 10.7270/Q2PC3300
					More data for this Ligand-Target Pair