null

SMILES: COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C

InChI Key: InChIKey=XUJAZHYZOMZFOS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175647   

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))	BDBM50175647 (CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.67	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]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175647 (CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	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]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50175647 (CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+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 caudate-putamen				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair