Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50041206   

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)	BDBM50406762 (CHEMBL37462) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3nc(N)ns3)cc12 Show InChI InChI=1S/C15H19N5S/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406758 (CHEMBL39243) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3nc(N)no3)cc12 Show InChI InChI=1S/C15H19N5O/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406769 (CHEMBL39296) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3nc(C)no3)cc12 Show InChI InChI=1S/C16H20N4O/c1-11-18-16(21-19-11)9-12-4-5-15-14(8-12)13(10-17-15)6-7-20(2)3/h4-5,8,10,17H,6-7,9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406773 (CHEMBL290587) Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12 Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406764 (CHEMBL39636) Show SMILES NCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12 Show InChI InChI=1S/C21H22N4O/c22-11-10-17-14-23-19-8-6-16(12-18(17)19)7-9-21-24-20(25-26-21)13-15-4-2-1-3-5-15/h1-6,8,12,14,23H,7,9-11,13,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406759 (CHEMBL39331) Show SMILES COc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 Show InChI InChI=1S/C20H20N4O2/c1-25-16-5-2-13(3-6-16)10-19-23-20(26-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22H,8-10,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406761 (CHEMBL38482) Show SMILES NCCc1c[nH]c2ccc(cc12)-c1nc(no1)C1CC1 Show InChI InChI=1S/C15H16N4O/c16-6-5-11-8-17-13-4-3-10(7-12(11)13)15-18-14(19-20-15)9-1-2-9/h3-4,7-9,17H,1-2,5-6,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406753 (CHEMBL37317) Show SMILES NCCc1c[nH]c2ccc(Cc3nc(N)no3)cc12 Show InChI InChI=1S/C13H15N5O/c14-4-3-9-7-16-11-2-1-8(5-10(9)11)6-12-17-13(15)18-19-12/h1-2,5,7,16H,3-4,6,14H2,(H2,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406766 (CHEMBL36497) Show SMILES Cc1noc(n1)-c1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C13H14N4O/c1-8-16-13(18-17-8)9-2-3-12-11(6-9)10(4-5-14)7-15-12/h2-3,6-7,15H,4-5,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406770 (CHEMBL39712) Show SMILES Cc1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1 Show InChI InChI=1S/C14H16N4O/c1-9-17-14(19-18-9)7-10-2-3-13-12(6-10)11(4-5-15)8-16-13/h2-3,6,8,16H,4-5,7,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406771 (L-694247) Show SMILES CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406768 (CHEMBL288821) Show SMILES NCCc1c[nH]c2ccc(cc12)-c1nc(Cc2ccccc2)no1 Show InChI InChI=1S/C19H18N4O/c20-9-8-15-12-21-17-7-6-14(11-16(15)17)19-22-18(23-24-19)10-13-4-2-1-3-5-13/h1-7,11-12,21H,8-10,20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50406757 (CHEMBL289489) Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
					More data for this Ligand-Target Pair