Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50042712'   

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)	BDBM50042712 (10-(2-Methyl-imidazol-1-ylmethyl)-5,6,9,10-tetrahy...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCn2c13 Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.25	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
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50042712 (10-(2-Methyl-imidazol-1-ylmethyl)-5,6,9,10-tetrahy...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCn2c13 Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.10	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 mu-opiate receptor using [3H]- naloxone 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)	BDBM50042712 (10-(2-Methyl-imidazol-1-ylmethyl)-5,6,9,10-tetrahy...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCn2c13 Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.10	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 kappa-opiate receptor using [3H]- EKC as radioligand.				J Med Chem 36: 3693-9 (1994) BindingDB Entry DOI: 10.7270/Q2NS0SZH
					More data for this Ligand-Target Pair