Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Sulfotransferase 2A1'   

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 2A1 (Homo sapiens (Human))	BDBM50176062 (3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...) Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	7.60E+4	-21.7	n/a	n/a	n/a	n/a	n/a	7.5	2
Albert Einstein College of Medicine					Assay Description Reaction conditions were as follows: SULT1A1 or 2A1 (50 nM), PnP (3.0 or 100 uM, respectively; 2 x Km PnP), amoxipine or protriptyline (0, 50, 100, o...				J Biol Chem 288: 34494-501 (2013) Article DOI: 10.1074/jbc.M113.510974 BindingDB Entry DOI: 10.7270/Q2XP73S3
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Sulfotransferase 2A1 (Homo sapiens (Human))	BDBM22870 (13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...) Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+5	-20.6	n/a	n/a	n/a	n/a	n/a	7.5	2
Albert Einstein College of Medicine					Assay Description Reaction conditions were as follows: SULT1A1 or 2A1 (50 nM), PnP (3.0 or 100 uM, respectively; 2 x Km PnP), amoxipine or protriptyline (0, 50, 100, o...				J Biol Chem 288: 34494-501 (2013) Article DOI: 10.1074/jbc.M113.510974 BindingDB Entry DOI: 10.7270/Q2XP73S3
					More data for this Ligand-Target Pair
Sulfotransferase 2A1 (Homo sapiens (Human))	BDBM50380592 (CHEMBL1552719) Show SMILES COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 Show InChI InChI=1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach				Citation and Details
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Sulfotransferase 2A1 (Homo sapiens (Human))	BDBM50427989 (CHEMBL2325503) Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl |(62.04,-5.04,;60.89,-4.01,;60.11,-2.67,;61.66,-2.66,;59.43,-4.48,;58.27,-3.45,;56.81,-3.93,;56.5,-5.43,;57.64,-6.47,;59.11,-5.99,;55.04,-5.91,;54.56,-7.37,;53.02,-7.37,;52.55,-5.91,;51.08,-5.43,;49.94,-6.46,;48.47,-5.99,;48,-4.52,;46.46,-4.52,;45.98,-5.98,;47.23,-6.89,;44.52,-6.46,;43.37,-5.43,;41.92,-5.9,;41.6,-7.41,;42.74,-8.44,;44.2,-7.96,;40.13,-7.89,;38.67,-8.37,;53.79,-5,;53.8,-3.47,;55.13,-2.69,;55.13,-1.14,;53.79,-.38,;52.46,-1.15,;52.46,-2.7,;51.13,-3.46,)| Show InChI InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach				Citation and Details
					More data for this Ligand-Target Pair
Sulfotransferase 2A1 (Rattus norvegicus)	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sulfotransferase 2A1 (Rattus norvegicus)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sulfotransferase 2A1 (Rattus norvegicus)	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sulfotransferase 2A1 (Rattus norvegicus)	BDBM23420 (7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sulfotransferase 2A1 (Rattus norvegicus)	BDBM50051828 (2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentaflu...) Show SMILES Cc1c(-c2ccc(OS([O-])(=O)=O)cc2)n(Cc2c(F)c(F)c(F)c(F)c2F)c2cc(OS([O-])(=O)=O)cc(c12)C(F)(F)F Show InChI InChI=1S/C23H13F8NO8S2/c1-9-16-14(23(29,30)31)6-12(40-42(36,37)38)7-15(16)32(8-13-17(24)19(26)21(28)20(27)18(13)25)22(9)10-2-4-11(5-3-10)39-41(33,34)35/h2-7H,8H2,1H3,(H,33,34,35)(H,36,37,38)/p-2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibitory activity against dehydroepiandrosterone sulfatase (DHA-STS)				J Med Chem 39: 1349-51 (1996) Article DOI: 10.1021/jm950931z BindingDB Entry DOI: 10.7270/Q218375Z
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