BDBM50193217 (3S,4S)-methyl 4-(4-(furan-2-yl)phenyl)-1-methylpiperidine-3-carboxylate::CHEMBL214567

SMILES: COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=KMGLVWFFQSAEKT-HZPDHXFCSA-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 = 50193217   

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 (Rattus norvegicus (rat))	BDBM50193217 ((3S,4S)-methyl 4-(4-(furan-2-yl)phenyl)-1-methylpi...) Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H21NO3/c1-19-10-9-15(16(12-19)18(20)21-2)13-5-7-14(8-6-13)17-4-3-11-22-17/h3-8,11,15-16H,9-10,12H2,1-2H3/t15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]cyanoimipramine from SERT in rat cerebral cortex homogenate				Bioorg Med Chem Lett 16: 5222-5 (2006) Article DOI: 10.1016/j.bmcl.2006.07.013 BindingDB Entry DOI: 10.7270/Q2N29WMF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50193217 ((3S,4S)-methyl 4-(4-(furan-2-yl)phenyl)-1-methylpi...) Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H21NO3/c1-19-10-9-15(16(12-19)18(20)21-2)13-5-7-14(8-6-13)17-4-3-11-22-17/h3-8,11,15-16H,9-10,12H2,1-2H3/t15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]beta-CIT from DAT in rat caudate homogenate				Bioorg Med Chem Lett 16: 5222-5 (2006) Article DOI: 10.1016/j.bmcl.2006.07.013 BindingDB Entry DOI: 10.7270/Q2N29WMF
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50193217 ((3S,4S)-methyl 4-(4-(furan-2-yl)phenyl)-1-methylpi...) Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C18H21NO3/c1-19-10-9-15(16(12-19)18(20)21-2)13-5-7-14(8-6-13)17-4-3-11-22-17/h3-8,11,15-16H,9-10,12H2,1-2H3/t15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat cerebral cortex				Bioorg Med Chem Lett 16: 5222-5 (2006) Article DOI: 10.1016/j.bmcl.2006.07.013 BindingDB Entry DOI: 10.7270/Q2N29WMF
					More data for this Ligand-Target Pair