BDBM50243141 3beta-(4-Methylphenyl)-2beta-[30-(4-chlorobenzyl)isoxazol-5-yl]-tropane hydrochloride::CHEMBL486042

SMILES: CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1

InChI Key: InChIKey=IFMIAYDNKIHTBR-XJAHMCCXSA-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 = 50243141   

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))	BDBM50243141 (3beta-(4-Methylphenyl)-2beta-[30-(4-chlorobenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C25H27ClN2O/c1-16-3-7-18(8-4-16)22-15-21-11-12-23(28(21)2)25(22)24-14-20(27-29-24)13-17-5-9-19(26)10-6-17/h3-10,14,21-23,25H,11-13,15H2,1-2H3/t21?,22-,23?,25+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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))	BDBM50243141 (3beta-(4-Methylphenyl)-2beta-[30-(4-chlorobenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C25H27ClN2O/c1-16-3-7-18(8-4-16)22-15-21-11-12-23(28(21)2)25(22)24-14-20(27-29-24)13-17-5-9-19(26)10-6-17/h3-10,14,21-23,25H,11-13,15H2,1-2H3/t21?,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	840	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))	BDBM50243141 (3beta-(4-Methylphenyl)-2beta-[30-(4-chlorobenzyl)i...) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1cc(Cc2ccc(Cl)cc2)no1 |r,TLB:16:6:1:4.3| Show InChI InChI=1S/C25H27ClN2O/c1-16-3-7-18(8-4-16)22-15-21-11-12-23(28(21)2)25(22)24-14-20(27-29-24)13-17-5-9-19(26)10-6-17/h3-10,14,21-23,25H,11-13,15H2,1-2H3/t21?,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	22.2	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