Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50042711'   

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/3B (Rattus norvegicus-RAT)	BDBM50042711 (11-(2-Methyl-imidazol-1-ylmethyl)-4,5,6,7,10,11-he...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCCn2c13 Show InChI InChI=1S/C21H23N3O/c1-14-22-10-12-23(14)13-16-8-9-18-19(21(16)25)17-7-4-6-15-5-2-3-11-24(18)20(15)17/h4,6-7,10,12,16H,2-3,5,8-9,11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Duphar B.V. Curated by ChEMBL					Assay Description The binding affinity of the compound was measured on 5-hydroxytryptamine 1C receptor using [3H]- serotonin as radioligand.				J Med Chem 36: 3693-9 (1994) BindingDB Entry DOI: 10.7270/Q2NS0SZH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042711 (11-(2-Methyl-imidazol-1-ylmethyl)-4,5,6,7,10,11-he...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCCn2c13 Show InChI InChI=1S/C21H23N3O/c1-14-22-10-12-23(14)13-16-8-9-18-19(21(16)25)17-7-4-6-15-5-2-3-11-24(18)20(15)17/h4,6-7,10,12,16H,2-3,5,8-9,11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Duphar B.V. Curated by ChEMBL					Assay Description The binding affinity of the compound was measured on dopamine receptor D1 using [3H]- dopamine as radioligand.				J Med Chem 36: 3693-9 (1994) BindingDB Entry DOI: 10.7270/Q2NS0SZH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042711 (11-(2-Methyl-imidazol-1-ylmethyl)-4,5,6,7,10,11-he...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCCn2c13 Show InChI InChI=1S/C21H23N3O/c1-14-22-10-12-23(14)13-16-8-9-18-19(21(16)25)17-7-4-6-15-5-2-3-11-24(18)20(15)17/h4,6-7,10,12,16H,2-3,5,8-9,11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Duphar B.V. Curated by ChEMBL					Assay Description Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes				J Med Chem 36: 3693-9 (1994) BindingDB Entry DOI: 10.7270/Q2NS0SZH
					More data for this Ligand-Target Pair