Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 9880   

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
Laforin (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 UniProtKB/SwissProt 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
Laforin (Homo sapiens (Human))	BDBM50087856 (CHEMBL3426913) Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Laforin (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis				Bioorg Med Chem 23: 2798-809 (2015) Article DOI: 10.1016/j.bmc.2015.03.066 BindingDB Entry DOI: 10.7270/Q2VD7168
					More data for this Ligand-Target Pair
Laforin (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...				US Patent US9522881 (2016) BindingDB Entry DOI: 10.7270/Q2DN4402
					More data for this Ligand-Target Pair
Laforin (Homo sapiens (Human))	BDBM50054344 (CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of laforin (unknown origin)				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Laforin (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 UniProtKB/SwissProt 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 Laforin (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis...				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
Laforin (Homo sapiens (Human))	BDBM50425808 (CHEMBL2316906) Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Laforin (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis				J Med Chem 56: 832-42 (2013) Article DOI: 10.1021/jm301781p BindingDB Entry DOI: 10.7270/Q2KK9D4X
					More data for this Ligand-Target Pair
Laforin (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 UniProtKB/SwissProt 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 Laforin (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis...				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
Laforin (Homo sapiens (Human))	BDBM50425806 (CHEMBL2316907) Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Laforin (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis				J Med Chem 56: 832-42 (2013) Article DOI: 10.1021/jm301781p BindingDB Entry DOI: 10.7270/Q2KK9D4X
					More data for this Ligand-Target Pair
Laforin (Homo sapiens (Human))	BDBM50425807 (CHEMBL2316902) Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Laforin (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis				J Med Chem 56: 832-42 (2013) Article DOI: 10.1021/jm301781p BindingDB Entry DOI: 10.7270/Q2KK9D4X
					More data for this Ligand-Target Pair
Laforin (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 UniProtKB/SwissProt 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 Laforin (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis...				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
Laforin (Homo sapiens (Human))	BDBM50498446 (CHEMBL3596431) Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human laforin using pNPP substrate by spectrophotometry				Medchemcomm 5: 1496-1499 (2014) Article DOI: 10.1039/c4md00099d BindingDB Entry DOI: 10.7270/Q25D8VVW
					More data for this Ligand-Target Pair