Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 50000748   

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
Protein phosphatase 1A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50090297 (CHEMBL40779 | Hexadecanoic acid (R)-2-hydroxy-2-((...) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)[C@]2(CCC(OC(C)C)O2)C1=O Show InChI InChI=1S/C28H48O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)33-20-22(29)25-26(31)28(27(32)35-25)19-18-24(36-28)34-21(2)3/h21-22,24-25,29H,4-20H2,1-3H3/t22-,24?,25-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Göttingen Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory effect against protein phosphatase I (PP-I)				Bioorg Med Chem Lett 10: 1605-8 (2000) BindingDB Entry DOI: 10.7270/Q2CN7348
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50090298 (CHEMBL416976 | Hexadecanoic acid (R)-2-((4aS,7R,7a...) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)[C@]2(O)CCC(O)O[C@]12OC Show InChI InChI=1S/C26H46O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(28)33-19-20(27)23-26(32-2)25(31,24(30)34-23)18-17-22(29)35-26/h20,22-23,27,29,31H,3-19H2,1-2H3/t20-,22?,23-,25-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Göttingen Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory effect against protein phosphatase I (PP-I)				Bioorg Med Chem Lett 10: 1605-8 (2000) BindingDB Entry DOI: 10.7270/Q2CN7348
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50183456 (CHEMBL425403 | N-methyl-N'-9-phenanthrylimidodicar...) Show SMILES CN=C(N)NC(N)=Nc1cc2ccccc2c2ccccc12 |w:7.7,1.0| Show InChI InChI=1S/C17H17N5/c1-20-16(18)22-17(19)21-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3,(H5,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of PP2C alpha				J Med Chem 49: 1658-67 (2006) Article DOI: 10.1021/jm051033y BindingDB Entry DOI: 10.7270/Q20001QF
					More data for this Ligand-Target Pair
Protein phosphatase 1A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis				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
Protein phosphatase 1A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis				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
Protein phosphatase 1A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis				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
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135681 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O Show InChI InChI=1S/C32H46N4O8/c1-19(17-20(2)27(44-7)18-24-11-9-8-10-12-24)13-14-25(33)21(3)29(38)35-26(32(42)43)15-16-28(37)36(6)23(5)30(39)34-22(4)31(40)41/h8-14,17,20-22,25-27H,5,15-16,18,33H2,1-4,6-7H3,(H,34,39)(H,35,38)(H,40,41)(H,42,43)/b14-13+,19-17+/t20-,21-,22+,25-,26+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis				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
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135676 ((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O Show InChI InChI=1S/C40H59N5O10/c1-23(2)20-33(40(53)54)44-37(49)27(6)41-38(50)28(7)45(9)35(47)19-18-32(39(51)52)43-36(48)26(5)31(42-29(8)46)17-16-24(3)21-25(4)34(55-10)22-30-14-12-11-13-15-30/h11-17,21,23,25-27,31-34H,7,18-20,22H2,1-6,8-10H3,(H,41,50)(H,42,46)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,24-21+/t25-,26-,27+,31-,32+,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135680 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(=O)OC Show InChI InChI=1S/C30H45N3O6/c1-20(18-21(2)27(38-7)19-24-12-10-9-11-13-24)14-15-25(31-23(4)34)22(3)29(36)32-26(30(37)39-8)16-17-28(35)33(5)6/h9-15,18,21-22,25-27H,16-17,19H2,1-8H3,(H,31,34)(H,32,36)/b15-14+,20-18+/t21-,22-,25-,26+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135677 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(O)=O Show InChI InChI=1S/C29H43N3O6/c1-19(17-20(2)26(38-7)18-23-11-9-8-10-12-23)13-14-24(30-22(4)33)21(3)28(35)31-25(29(36)37)15-16-27(34)32(5)6/h8-14,17,20-21,24-26H,15-16,18H2,1-7H3,(H,30,33)(H,31,35)(H,36,37)/b14-13+,19-17+/t20-,21-,24-,25+,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135675 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O Show InChI InChI=1S/C34H48N4O9/c1-20(18-21(2)29(47-8)19-26-12-10-9-11-13-26)14-15-27(36-25(6)39)22(3)31(41)37-28(34(45)46)16-17-30(40)38(7)24(5)32(42)35-23(4)33(43)44/h9-15,18,21-23,27-29H,5,16-17,19H2,1-4,6-8H3,(H,35,42)(H,36,39)(H,37,41)(H,43,44)(H,45,46)/b15-14+,20-18+/t21-,22-,23+,27-,28+,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135679 ((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O Show InChI InChI=1S/C39H59N5O10/c1-23(2)19-32(39(52)53)43-37(49)27(6)40-34(46)22-44(8)35(47)18-17-31(38(50)51)42-36(48)26(5)30(41-28(7)45)16-15-24(3)20-25(4)33(54-9)21-29-13-11-10-12-14-29/h10-16,20,23,25-27,30-33H,17-19,21-22H2,1-9H3,(H,40,46)(H,41,45)(H,42,48)(H,43,49)(H,50,51)(H,52,53)/b16-15+,24-20+/t25-,26-,27+,30-,31+,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135678 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O Show InChI InChI=1S/C31H46N4O8/c1-19(16-20(2)26(43-6)17-23-10-8-7-9-11-23)12-13-24(32)21(3)29(38)34-25(31(41)42)14-15-28(37)35(5)18-27(36)33-22(4)30(39)40/h7-13,16,20-22,24-26H,14-15,17-18,32H2,1-6H3,(H,33,36)(H,34,38)(H,39,40)(H,41,42)/b13-12+,19-16+/t20-,21-,22+,24-,25+,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair
Protein phosphatase 1A (Homo sapiens (Human))	BDBM50135674 ((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48N4O9/c1-20(17-21(2)28(46-7)18-25-11-9-8-10-12-25)13-14-26(35-24(5)38)22(3)31(41)36-27(33(44)45)15-16-30(40)37(6)19-29(39)34-23(4)32(42)43/h8-14,17,21-23,26-28H,15-16,18-19H2,1-7H3,(H,34,39)(H,35,38)(H,36,41)(H,42,43)(H,44,45)/b14-13+,20-17+/t21-,22-,23+,26-,27+,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
					More data for this Ligand-Target Pair