Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50030220   

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
Ribonuclease pancreatic (Homo sapiens (Human))	BDBM50292713 (5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of RNase A				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292721 (CHEMBL504858 | [({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...) Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C20H29N7O20P4/c1-8-3-26(20(30)25-18(8)29)12-2-9(10(43-12)4-41-48(31,32)33)45-51(39,40)47-50(37,38)42-5-11-15(46-49(34,35)36)14(28)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28H,2,4-5H2,1H3,(H,37,38)(H,39,40)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)(H2,34,35,36)/t9-,10+,11+,12+,14+,15+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM50292713 (5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human EDN				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292724 (CHEMBL460901 | URACIL ARABINOSE-3'-PHOSPHATE | ara...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292723 ((2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(...) Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292715 (5'-deoxy-5'-N-(ethyl isonipecotatyl)uridine | CHEM...) Show SMILES CCOC(=O)C1CCN(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)CC1 |r| Show InChI InChI=1S/C17H25N3O7/c1-2-26-16(24)10-3-6-19(7-4-10)9-11-13(22)14(23)15(27-11)20-8-5-12(21)18-17(20)25/h5,8,10-11,13-15,22-23H,2-4,6-7,9H2,1H3,(H,18,21,25)/t11-,13-,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292722 (3'-UMP | 3'-uridylic acid | CHEMBL460741) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292714 (3'-N-piperidine-4-carboxyl-3'-deoxyara-uridine | C...) Show SMILES OC[C@]1(O[C@H]([C@@H](O)[C@@H]1N1CCCCC1)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C15H21N3O7/c19-8-15(13(22)23)11(17-5-2-1-3-6-17)10(21)12(25-15)18-7-4-9(20)16-14(18)24/h4,7,10-12,19,21H,1-3,5-6,8H2,(H,22,23)(H,16,20,24)/t10-,11-,12+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50233301 (CHEMBL258728 | cytidine-3'-monophosphate) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292719 (5'-deoxy-5'-N-piperidinouridine | CHEMBL444258) Show SMILES O[C@@H]1[C@@H](CN2CCCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292720 (5'-deoxy-5'-N-morpholinouridine | CHEMBL460902) Show SMILES O[C@@H]1[C@@H](CN2CCOCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H19N3O6/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(22-12)7-15-3-5-21-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,14,17,20)/t8-,10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292718 (5'-deoxy-5'-N-pyrrolidinouridine | CHEMBL513623) Show SMILES O[C@@H]1[C@@H](CN2CCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H19N3O5/c17-9-3-6-16(13(20)14-9)12-11(19)10(18)8(21-12)7-15-4-1-2-5-15/h3,6,8,10-12,18-19H,1-2,4-5,7H2,(H,14,17,20)/t8-,10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Angiogenin (Homo sapiens (Human))	BDBM50292713 (5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human angiogenin				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292717 (5'-deoxy-5'-N-piperidinothymidine | 5'-deoxy-5'-pi...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	3.96E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50292716 (5'-deoxy-5'-Npyrrolidinothymidine | CHEMBL511875) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCC3)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic RNase A by spectrophotometric method				J Med Chem 52: 932-42 (2009) Article DOI: 10.1021/jm800724t BindingDB Entry DOI: 10.7270/Q2H99570
					More data for this Ligand-Target Pair				3D Structure (docked)