BDBM50243192 3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)isoxazol-5-tropane hydrochloride salt::CHEMBL487875

SMILES: COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1

InChI Key: InChIKey=YNBPFDTUMKTMGE-YDROXCIYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50243192   

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))	BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C26H30N2O2/c1-17-4-8-19(9-5-17)23-16-21-10-13-24(28(21)2)26(23)25-15-20(27-30-25)14-18-6-11-22(29-3)12-7-18/h4-9,11-12,15,21,23-24,26H,10,13-14,16H2,1-3H3/t21?,23-,24?,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HTT				Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C26H30N2O2/c1-17-4-8-19(9-5-17)23-16-21-10-13-24(28(21)2)26(23)25-15-20(27-30-25)14-18-6-11-22(29-3)12-7-18/h4-9,11-12,15,21,23-24,26H,10,13-14,16H2,1-3H3/t21?,23-,24?,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET				Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C26H30N2O2/c1-17-4-8-19(9-5-17)23-16-21-10-13-24(28(21)2)26(23)25-15-20(27-30-25)14-18-6-11-22(29-3)12-7-18/h4-9,11-12,15,21,23-24,26H,10,13-14,16H2,1-3H3/t21?,23-,24?,26+/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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT				Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0
					More data for this Ligand-Target Pair