Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50048395   

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)	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50033437 (CHEMBL905 | MK 462 free base | N,N-dimethyl-2-[5-(...) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50407356 (CHEMBL54265) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-16-14-4-3-12(7-13(11)14)19-10-15-9-17-19/h3-4,7-10,16H,5-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair