Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50035587   

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
2-5A-dependent ribonuclease (Mus musculus)	BDBM50421415 (CHEMBL414948) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in mouse L cells				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50421415 (CHEMBL414948) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in human Daudi lymphoblastoid cells				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50421415 (CHEMBL414948) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in rabbit reticulocytes				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50021104 ((2'-5'(pAris)3) Show SMILES Nc1ncnc2n(cnc12)C1CC(COP([O-])(=O)OC2C(O)C(COP([O-])(=O)OC3C(O)C(COP([O-])([O-])=O)CC3n3cnc4c(N)ncnc34)CC2n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C33H44N15O16P3/c34-28-19-31(40-7-37-28)46(10-43-19)16-1-13(22(49)25(16)52)5-61-66(56,57)64-27-18(48-12-45-21-30(36)39-9-42-33(21)48)3-15(24(27)51)6-62-67(58,59)63-26-17(2-14(23(26)50)4-60-65(53,54)55)47-11-44-20-29(35)38-8-41-32(20)47/h7-18,22-27,49-52H,1-6H2,(H,56,57)(H,58,59)(H2,34,37,40)(H2,35,38,41)(H2,36,39,42)(H2,53,54,55)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in human Daudi lymphoblastoid cells				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50021104 ((2'-5'(pAris)3) Show SMILES Nc1ncnc2n(cnc12)C1CC(COP([O-])(=O)OC2C(O)C(COP([O-])(=O)OC3C(O)C(COP([O-])([O-])=O)CC3n3cnc4c(N)ncnc34)CC2n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C33H44N15O16P3/c34-28-19-31(40-7-37-28)46(10-43-19)16-1-13(22(49)25(16)52)5-61-66(56,57)64-27-18(48-12-45-21-30(36)39-9-42-33(21)48)3-15(24(27)51)6-62-67(58,59)63-26-17(2-14(23(26)50)4-60-65(53,54)55)47-11-44-20-29(35)38-8-41-32(20)47/h7-18,22-27,49-52H,1-6H2,(H,56,57)(H,58,59)(H2,34,37,40)(H2,35,38,41)(H2,36,39,42)(H2,53,54,55)/p-4	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in mouse L cells				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50021104 ((2'-5'(pAris)3) Show SMILES Nc1ncnc2n(cnc12)C1CC(COP([O-])(=O)OC2C(O)C(COP([O-])(=O)OC3C(O)C(COP([O-])([O-])=O)CC3n3cnc4c(N)ncnc34)CC2n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C33H44N15O16P3/c34-28-19-31(40-7-37-28)46(10-43-19)16-1-13(22(49)25(16)52)5-61-66(56,57)64-27-18(48-12-45-21-30(36)39-9-42-33(21)48)3-15(24(27)51)6-62-67(58,59)63-26-17(2-14(23(26)50)4-60-65(53,54)55)47-11-44-20-29(35)38-8-41-32(20)47/h7-18,22-27,49-52H,1-6H2,(H,56,57)(H,58,59)(H2,34,37,40)(H2,35,38,41)(H2,36,39,42)(H2,53,54,55)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in rabbit reticulocytes				J Med Chem 28: 1376-80 (1985) BindingDB Entry DOI: 10.7270/Q26W9BNH
					More data for this Ligand-Target Pair