BDBM50243191 3beta-(4-Chlorophenyl)-2beta-[3'-(4-methoxybenzyl)isoxazol-5-yl]-tropane hydrochloride::CHEMBL487874

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

InChI Key: InChIKey=XSHISTSQXDXEMK-ZTKRIWFQSA-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 = 50243191   

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))	BDBM50243191 (3beta-(4-Chlorophenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C25H27ClN2O2/c1-28-20-9-12-23(28)25(22(15-20)17-5-7-18(26)8-6-17)24-14-19(27-30-24)13-16-3-10-21(29-2)11-4-16/h3-8,10-11,14,20,22-23,25H,9,12-13,15H2,1-2H3/t20?,22-,23?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.4	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))	BDBM50243191 (3beta-(4-Chlorophenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C25H27ClN2O2/c1-28-20-9-12-23(28)25(22(15-20)17-5-7-18(26)8-6-17)24-14-19(27-30-24)13-16-3-10-21(29-2)11-4-16/h3-8,10-11,14,20,22-23,25H,9,12-13,15H2,1-2H3/t20?,22-,23?,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	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))	BDBM50243191 (3beta-(4-Chlorophenyl)-2beta-[3'-(4-methoxybenzyl)...) Show SMILES COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,THB:9:12:26:14.15| Show InChI InChI=1S/C25H27ClN2O2/c1-28-20-9-12-23(28)25(22(15-20)17-5-7-18(26)8-6-17)24-14-19(27-30-24)13-16-3-10-21(29-2)11-4-16/h3-8,10-11,14,20,22-23,25H,9,12-13,15H2,1-2H3/t20?,22-,23?,25+/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	6.10	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