Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 7764   

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 1A1 (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+4	-23.5	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 1A1 (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	5.50E+4	-22.4	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))	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
					More data for this Ligand-Target Pair
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