Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50035838   

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))	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013046 (1-(Thiophen-2-ylmethyl)guanidine | CHEMBL93064 | N...) Show SMILES NC(=N)NCc1cccs1 Show InChI InChI=1S/C6H9N3S/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013045 (3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...) Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013044 (1-Benzylguanidine | CHEMBL288640 | N-Benzyl-guanid...) Show SMILES NC(=N)NCc1ccccc1 Show InChI InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013040 (CHEMBL93244 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...) Show SMILES CN(Cc1nc(cs1)-c1c[nH]c2ccccc12)C(N)=N Show InChI InChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50013039 (CHEMBL40260 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...) Show SMILES NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013038 (1-(Pyridin-3-ylmethyl)guanidine | CHEMBL93964 | N-...) Show SMILES NC(=N)NCc1ccccn1 Show InChI InChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair
Serotonin 3 receptor (5HT3) (Mus musculus)	BDBM50013042 (CHEMBL92180 | N-(4-Methyl-thiazol-2-ylmethyl)-guan...) Show SMILES Cc1csc(CNC(N)=N)n1 Show InChI InChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells				J Med Chem 33: 2721-5 (1990) Article DOI: 10.1021/jm00172a007 BindingDB Entry DOI: 10.7270/Q2CJ8F2V
					More data for this Ligand-Target Pair