BDBM50197471 (2R,3S)-methyl 3-(3,4-dichlorophenyl)-8-thia-bicyclo[3.2.1]octane-2-carboxylate::2-beta-carbomethoxy-3-beta-(3,4-dichlorophenyl)-8-thiabicyclo[3.2.1]octane::CHEMBL227757

SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2

InChI Key: InChIKey=IOQGJGXQSJIUOX-DUHSPSEUSA-N

Data: 4 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 4 hits for monomerid = 50197471   

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
Serotonin transporter (Macaca mulatta)	BDBM50197471 ((2R,3S)-methyl 3-(3,4-dichlorophenyl)-8-thia-bicyc...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O2S/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rhesus monkey caudate-putamen				Bioorg Med Chem 15: 1067-82 (2006) Article DOI: 10.1016/j.bmc.2006.10.016 BindingDB Entry DOI: 10.7270/Q2765DZ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50197471 ((2R,3S)-methyl 3-(3,4-dichlorophenyl)-8-thia-bicyc...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O2S/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from human SERT expressed in HEK293 cell membrane				Bioorg Med Chem 16: 1832-41 (2008) Article DOI: 10.1016/j.bmc.2007.11.009 BindingDB Entry DOI: 10.7270/Q20K29FS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50197471 ((2R,3S)-methyl 3-(3,4-dichlorophenyl)-8-thia-bicyc...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O2S/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT expressed in transfected cell membrane				Bioorg Med Chem 16: 1832-41 (2008) Article DOI: 10.1016/j.bmc.2007.11.009 BindingDB Entry DOI: 10.7270/Q20K29FS
					More data for this Ligand-Target Pair
Dopamine transporter (Macaca fascicularis)	BDBM50197471 ((2R,3S)-methyl 3-(3,4-dichlorophenyl)-8-thia-bicyc...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 |TLB:11:10:19:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C15H16Cl2O2S/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9?,10-,13?,14+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from DAT in rhesus monkey caudate-putamen				Bioorg Med Chem 15: 1067-82 (2006) Article DOI: 10.1016/j.bmc.2006.10.016 BindingDB Entry DOI: 10.7270/Q2765DZ8
					More data for this Ligand-Target Pair