Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50003822   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM81945 (CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...) Show SMILES C[n+]1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human SERT C109A mutant transfected in HEK cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50476261 (4-(1-Methylpyridinium)Phenylmethanethiosulphonate ...) Show SMILES [I-].C[n+]1ccc(cc1)-c1ccc(SS(C)(=O)=O)cc1 Show InChI InChI=1S/C13H14NO2S2/c1-14-9-7-12(8-10-14)11-3-5-13(6-4-11)17-18(2,15)16/h3-10H,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human SERT C109A mutant transfected in HEK cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50476261 (4-(1-Methylpyridinium)Phenylmethanethiosulphonate ...) Show SMILES [I-].C[n+]1ccc(cc1)-c1ccc(SS(C)(=O)=O)cc1 Show InChI InChI=1S/C13H14NO2S2/c1-14-9-7-12(8-10-14)11-3-5-13(6-4-11)17-18(2,15)16/h3-10H,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Decrease in [3H]5-HT uptake at human SERT G498C mutant transfected in HEK293 cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50476262 (CHEMBL224476) Show SMILES C[N+](C)(C)CCSS(C)(=O)=O Show InChI InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Decrease in [3H]5-HT uptake at human SERT G498C mutant transfected in HEK293 cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50476261 (4-(1-Methylpyridinium)Phenylmethanethiosulphonate ...) Show SMILES [I-].C[n+]1ccc(cc1)-c1ccc(SS(C)(=O)=O)cc1 Show InChI InChI=1S/C13H14NO2S2/c1-14-9-7-12(8-10-14)11-3-5-13(6-4-11)17-18(2,15)16/h3-10H,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+13	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Decrease in [3H]5-HT uptake at human SERT W103C mutant transfected in HEK293 cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50476262 (CHEMBL224476) Show SMILES C[N+](C)(C)CCSS(C)(=O)=O Show InChI InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+12	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Decrease in [3H]5-HT uptake at human SERT W103C mutant transfected in HEK293 cells				Bioorg Med Chem 15: 305-11 (2007) Article DOI: 10.1016/j.bmc.2006.09.058 BindingDB Entry DOI: 10.7270/Q2DV1NNQ
					More data for this Ligand-Target Pair