Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50041140   

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
Sulfotransferase (Sus scrofa)	BDBM50405380 (CHEMBL1627565) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3cccc4[N+]([O-])=O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C18H23NO3/c1-18-10-9-12-11-3-2-4-16(19(21)22)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10H2,1H3/t12-,13-,15+,17+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405376 (CHEMBL1627689) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(N)cc34)[C@@H]1CCC2O |r| Show InChI InChI=1S/C18H25NO/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9,19H2,1H3/t13-,14+,16-,17?,18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405378 (CHEMBL1627562) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(cc34)[N+]([O-])=O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C18H23NO3/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19(21)22)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9H2,1H3/t13-,14+,16-,17-,18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405374 (CHEMBL1627977) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)cccc34)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C18H23FO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10H2,1H3/t12-,13-,15+,17+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405382 (CHEMBL1627685) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(N)cccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H23NO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15H,5-10,19H2,1H3/t12-,13-,15+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405377 (CHEMBL1627697) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(N)cccc34)[C@@H]1CCC2O |r| Show InChI InChI=1S/C18H25NO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15,17,20H,5-10,19H2,1H3/t12-,13-,15+,17?,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405383 (CHEMBL1627683) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(F)cc34)[C@@H]1CCC2O |r| Show InChI InChI=1S/C18H23FO/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9H2,1H3/t13-,14+,16-,17?,18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405381 (CHEMBL1627690) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(F)cccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H21FO/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h2-4,12-13,15H,5-10H2,1H3/t12-,13-,15+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405375 (CHEMBL194749) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair
Sulfotransferase (Sus scrofa)	BDBM50405379 (CHEMBL1627698) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase				J Med Chem 29: 692-8 (1986) BindingDB Entry DOI: 10.7270/Q2M32WZ9
					More data for this Ligand-Target Pair