Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50044834   

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
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031906 (CHEMBL3360905) Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCc4ccc(cc4)C(O)=O)cc3)c(=O)n2C1c1ccc(cc1)N(C)C |c:5,t:8| Show InChI InChI=1S/C33H31N3O6S/c1-5-41-32(40)28-20(2)34-33-36(29(28)23-12-14-25(15-13-23)35(3)4)30(37)27(43-33)18-21-8-16-26(17-9-21)42-19-22-6-10-24(11-7-22)31(38)39/h6-18,29H,5,19H2,1-4H3,(H,38,39)/b27-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50343530 (5,7-dichloro-4-((3-(4-methoxyphenylthio)benzyl)(me...) Show SMILES COc1ccc(Sc2cccc(CN(C)c3cc(nc4cc(Cl)cc(Cl)c34)C(O)=O)c2)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031908 (CHEMBL3360906) Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1 Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031910 (CHEMBL3360908) Show SMILES CCN1C(=O)N\C(=C\c2ccc(OCc3ccc(cc3)C(O)=O)c(I)c2)C1=O Show InChI InChI=1S/C20H17IN2O5/c1-2-23-18(24)16(22-20(23)27)10-13-5-8-17(15(21)9-13)28-11-12-3-6-14(7-4-12)19(25)26/h3-10H,2,11H2,1H3,(H,22,27)(H,25,26)/b16-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031905 (CHEMBL3360904) Show SMILES Brc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1 Show InChI InChI=1S/C23H14BrN3O3/c24-16-5-3-14(4-6-16)19-9-10-21(29-19)22(28)26-17-7-8-20-18(12-17)27-23(30-20)15-2-1-11-25-13-15/h1-13H,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031907 (CHEMBL2337245) Show SMILES Cc1ccc(o1)-c1cc(C(=O)NCc2cccc(CNC(=O)c3cc(nc4ccccc34)-c3ccc(C)o3)c2)c2ccccc2n1 Show InChI InChI=1S/C38H30N4O4/c1-23-14-16-35(45-23)33-19-29(27-10-3-5-12-31(27)41-33)37(43)39-21-25-8-7-9-26(18-25)22-40-38(44)30-20-34(36-17-15-24(2)46-36)42-32-13-6-4-11-28(30)32/h3-20H,21-22H2,1-2H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031909 (CHEMBL3360907) Show SMILES Cc1c(Cl)cccc1-c1ccc(o1)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C26H16ClNO4/c1-14-16(7-4-8-21(14)27)22-11-12-23(32-22)26(31)28-15-9-10-19-20(13-15)25(30)18-6-3-2-5-17(18)24(19)29/h2-13H,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22 (Homo sapiens (Human))	BDBM50031904 (CHEMBL3360903) Show SMILES [#6]-c1c(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c2ccccc2n1-[#6]-[#6]-[#8]-c1ccc(-[#6])cc1-[#6] Show InChI InChI=1S/C24H23N3O3S/c1-14-8-9-21(15(2)12-14)30-11-10-27-16(3)18(17-6-4-5-7-20(17)27)13-19-22(28)25-24(31)26-23(19)29/h4-9,12-13H,10-11H2,1-3H3,(H2,25,26,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...				J Med Chem 57: 9309-22 (2014) Article DOI: 10.1021/jm500692u BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
					More data for this Ligand-Target Pair