Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50400902'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128275 BindingDB Entry DOI: 10.7270/Q2VQ36SJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to rat 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to rat 5HT3A receptor				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological method				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50400902 (1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...) Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human 5HT3A receptor expressed in xenopus oocytes by electrophysiological method				J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC
					More data for this Ligand-Target Pair