Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein phosphatase eta'   

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
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM231167 (US9340574, 7) Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...				US Patent US9340574 (2016) BindingDB Entry DOI: 10.7270/Q2NV9H4J
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM50544440 (CHEMBL4647367 | US11192850, Entry 4t) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C17H9ClF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of DEP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...				J Med Chem 63: 9212-9227 (2020) Article DOI: 10.1021/acs.jmedchem.0c00302 BindingDB Entry DOI: 10.7270/Q2QV3R3B
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM50544431 (CHEMBL4637459 | US11192850, Entry 4k) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of DEP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...				J Med Chem 63: 9212-9227 (2020) Article DOI: 10.1021/acs.jmedchem.0c00302 BindingDB Entry DOI: 10.7270/Q2QV3R3B
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM50544427 (CHEMBL4632818 | US11192850, Entry 4g) Show SMILES CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)7-6-11-4-3-5-13(8-11)20-17(23)19(26)27/h3-5,8-10,22H,1-2H3,(H,20,23)(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of DEP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...				J Med Chem 63: 9212-9227 (2020) Article DOI: 10.1021/acs.jmedchem.0c00302 BindingDB Entry DOI: 10.7270/Q2QV3R3B
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM152210 (US8987474, NSC-87877) Show SMILES Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O |w:16.18| Show InChI InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)/b22-21+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description NSC-87877 ranked among top 10% (175th) of the compounds with the best GLIDE scores for the docking to the human Shp2 PTP domain in our virtual screen...				US Patent US8987474 (2015) BindingDB Entry DOI: 10.7270/Q2ZS2V61
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human PTPRJ (1019 to 1311 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins f...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair