Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50043267   

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 (Bison bison (American bison))	BDBM50438455 (CHEMBL2414522) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CS(=O)(=O)CC(O)=O)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H18N2O11S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(29(25,26)6-12(19)20)8(27-10)4-28(23,24)5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438453 (CHEMBL2414524) Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CS(=O)(=O)CC(O)=O)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H18N2O11S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(29(25,26)6-12(19)20)8(27-10)4-28(23,24)5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438456 (CHEMBL2414521) Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O8S/c1-6-3-14(12(19)13-11(6)18)9-2-8(7(4-15)22-9)23(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438454 (CHEMBL2414523) Show SMILES Cc1cn([C@H]2C[C@H](SCC(O)=O)[C@@H](CSCC(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H18N2O7S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(25-6-12(19)20)8(23-10)4-24-5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438451 (CHEMBL2414510) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CS(=O)(=O)CC(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O8S/c1-6-3-14(12(19)13-11(6)18)9-2-7(15)8(22-9)4-23(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438452 (CHEMBL2414509) Show SMILES Cc1cn([C@H]2C[C@@H](SCC(O)=O)[C@@H](CSCC(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H18N2O7S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(25-6-12(19)20)8(23-10)4-24-5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438448 (CHEMBL2414513) Show SMILES COC(=O)CS(=O)(=O)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H18N2O8S/c1-7-4-15(13(19)14-12(7)18)10-3-9(8(5-16)23-10)24(20,21)6-11(17)22-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438457 (CHEMBL2414520) Show SMILES Cc1cn([C@H]2C[C@H](SCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O6S/c1-6-3-14(12(19)13-11(6)18)9-2-8(7(4-15)20-9)21-5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438458 (CHEMBL2414519) Show SMILES Cc1cn([C@H]2C[C@H](NCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H17N3O6/c1-6-4-15(12(20)14-11(6)19)9-2-7(8(5-16)21-9)13-3-10(17)18/h4,7-9,13,16H,2-3,5H2,1H3,(H,17,18)(H,14,19,20)/t7-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438445 (CHEMBL2414517) Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H18N2O8S/c1-7-4-15(13(19)14-12(7)18)10-3-8(16)9(23-10)5-24(20,21)6-11(17)22-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438446 (CHEMBL2414515) Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@H]1S(=O)(=O)CC(=O)OC)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H22N2O11S2/c1-9-5-18(16(22)17-15(9)21)12-4-11(31(25,26)8-14(20)28-3)10(29-12)6-30(23,24)7-13(19)27-2/h5,10-12H,4,6-8H2,1-3H3,(H,17,21,22)/t10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438447 (CHEMBL2414514) Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@@H]1S(=O)(=O)CC(=O)OC)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C16H22N2O11S2/c1-9-5-18(16(22)17-15(9)21)12-4-11(31(25,26)8-14(20)28-3)10(29-12)6-30(23,24)7-13(19)27-2/h5,10-12H,4,6-8H2,1-3H3,(H,17,21,22)/t10-,11+,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438459 (CHEMBL2414518) Show SMILES Cc1cn([C@H]2C[C@H](OCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O7/c1-6-3-14(12(19)13-11(6)18)9-2-7(8(4-15)21-9)20-5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438450 (CHEMBL2414511) Show SMILES CCOC(=O)CN[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H21N3O6/c1-3-22-12(19)5-15-9-4-11(23-10(9)7-18)17-6-8(2)13(20)16-14(17)21/h6,9-11,15,18H,3-5,7H2,1-2H3,(H,16,20,21)/t9-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.04E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Bison bison (American bison))	BDBM50438449 (CHEMBL2414512) Show SMILES COC(=O)CS[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H18N2O6S/c1-7-4-15(13(19)14-12(7)18)10-3-9(8(5-16)21-10)22-6-11(17)20-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Kharagpur Curated by ChEMBL					Assay Description Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 4634-45 (2013) Article DOI: 10.1016/j.bmc.2013.05.047 BindingDB Entry DOI: 10.7270/Q2WQ056P
					More data for this Ligand-Target Pair