Compile Data Set for Download or QSAR

Found 17 hits of ic50 for UniProtKB: P53041   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O Show InChI InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at NK2 receptor in human urinary bladder assessed as inhibition of [beta-Ala8]NKA(4-10)-induced tissue contractions				Citation and Details
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Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50110690 (CHEMBL17377 | FOSTRIECIN | Phosphoric acid mono-{3...) Show SMILES C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(O)(O)=O |c:7| Show InChI InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 | Calyculin-A) Show SMILES COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(\C=C\C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r| Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50408820 (CHEMBL5268133) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C42H68N12O8/c43-29(15-10-20-49-41(44)45)36(57)52-30(16-11-21-50-42(46)47)37(58)48-19-9-3-1-2-4-18-35(56)51-31(25-55)38(59)53-24-28-14-6-5-12-26(28)22-33(53)39(60)54-32-17-8-7-13-27(32)23-34(54)40(61)62/h5-6,12,14,27,29-34,55H,1-4,7-11,13,15-25,43H2,(H,48,58)(H,51,56)(H,52,57)(H,61,62)(H4,44,45,49)(H4,46,47,50)/t27-,29+,30-,31-,32-,33+,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse histamine H4 receptor in SK-N-MC cells assessed as inhibition of forskolin-stimulated cAMP release preincubated for 10 m...				Citation and Details
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Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50408822 (CHEMBL5276260) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C40H64N12O8/c41-27(13-8-18-47-39(42)43)34(55)50-28(14-9-19-48-40(44)45)35(56)46-17-7-1-2-16-33(54)49-29(23-53)36(57)51-22-26-12-4-3-10-24(26)20-31(51)37(58)52-30-15-6-5-11-25(30)21-32(52)38(59)60/h3-4,10,12,25,27-32,53H,1-2,5-9,11,13-23,41H2,(H,46,56)(H,49,54)(H,50,55)(H,59,60)(H4,42,43,47)(H4,44,45,48)/t25-,27+,28-,29-,30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50366883 (TAUTOMYCIN) Show SMILES CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C |r,c:45| Show InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse histamine H4 receptor in SK-N-MC cells assessed as inhibition of forskolin-stimulated cAMP release preincubated for 10 m...				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50408823 (CHEMBL5276593) Show SMILES CN1C[C@H](COC(=O)C2CCCCCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:16| Show InChI InChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,16-17,22,25H,2-5,7-8,12,14-15H2,1H3/t16-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50090505 ((1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2...) Show SMILES C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O Show InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50090505 ((1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2...) Show SMILES C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O Show InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat H3 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs				Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50607111 (CHEMBL5218807) Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01143 BindingDB Entry DOI: 10.7270/Q2BK1HGF
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50112358 (CHEMBL3609374) Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50112357 (CHEMBL3609375) Show SMILES CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1 Show InChI InChI=1S/C25H25N3O6S/c1-16(2)17-8-10-19(11-9-17)27-24(30)25(31)28-21-14-12-20(13-15-21)26-23(29)22(35(32,33)34)18-6-4-3-5-7-18/h3-16,22H,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50112356 (CHEMBL3609373) Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1 Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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 phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of PP5 (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
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50607110 (CHEMBL5219519) Show SMILES Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01143 BindingDB Entry DOI: 10.7270/Q2BK1HGF
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50420258 (CEFSULODIN) Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8| Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis				ACS Med Chem Lett 6: 782-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00118 BindingDB Entry DOI: 10.7270/Q2251M0S
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 5 (Homo sapiens (Human))	BDBM50558488 (CHEMBL4794972) Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01143 BindingDB Entry DOI: 10.7270/Q2BK1HGF
					More data for this Ligand-Target Pair