BDBM50323775 CHEMBL1214060::N-((E)-4-Fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-methylphenyl)nortropane

SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF

InChI Key: InChIKey=XZWRXMFAFBSAJC-OWANBTPYSA-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 = 50323775   

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))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	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](R,S)-citalopram HBr from human SERT				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	265	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				J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50323775 (CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair