Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 6135   

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))	BDBM111444 (Ser-aT (Compound 2)) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H20N4O6/c1-6-3-17(13(22)16-11(6)20)10-2-8(9(5-19)23-10)15-12(21)7(14)4-18/h3,7-10,18-19H,2,4-5,14H2,1H3,(H,15,21)(H,16,20,22)/t7?,8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India									Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Homo sapiens (Human))	BDBM111446 (N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O7/c1-5-3-15(12(21)14-9(5)17)8-2-6(7(4-16)22-8)13-10(18)11(19)20/h3,6-8,16H,2,4H2,1H3,(H,13,18)(H,19,20)(H,14,17,21)/t6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India									Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Homo sapiens (Human))	BDBM111447 (N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)CC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H17N3O7/c1-6-4-16(13(22)15-12(6)21)10-2-7(8(5-17)23-10)14-9(18)3-11(19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,14,18)(H,19,20)(H,15,21,22)/t7-,8-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India									Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Angiogenin (Homo sapiens (Human))	BDBM111444 (Ser-aT (Compound 2)) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H20N4O6/c1-6-3-17(13(22)16-11(6)20)10-2-8(9(5-19)23-10)15-12(21)7(14)4-18/h3,7-10,18-19H,2,4-5,14H2,1H3,(H,15,21)(H,16,20,22)/t7?,8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India					Assay Description The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...				Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Ribonuclease pancreatic (Homo sapiens (Human))	BDBM111445 (Tyr-aT (Compound 3)) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H24N4O6/c1-10-8-23(19(28)22-17(10)26)16-7-14(15(9-24)29-16)21-18(27)13(20)6-11-2-4-12(25)5-3-11/h2-5,8,13-16,24-25H,6-7,9,20H2,1H3,(H,21,27)(H,22,26,28)/t13?,14-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.51E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India									Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Angiogenin (Homo sapiens (Human))	BDBM111446 (N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O7/c1-5-3-15(12(21)14-9(5)17)8-2-6(7(4-16)22-8)13-10(18)11(19)20/h3,6-8,16H,2,4H2,1H3,(H,13,18)(H,19,20)(H,14,17,21)/t6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India					Assay Description The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...				Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Angiogenin (Homo sapiens (Human))	BDBM111447 (N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)CC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H17N3O7/c1-6-4-16(13(22)15-12(6)21)10-2-7(8(5-17)23-10)14-9(18)3-11(19)20/h4,7-8,10,17H,2-3,5H2,1H3,(H,14,18)(H,19,20)(H,15,21,22)/t7-,8-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.11E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India					Assay Description The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...				Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair
Angiogenin (Homo sapiens (Human))	BDBM111445 (Tyr-aT (Compound 3)) Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H24N4O6/c1-10-8-23(19(28)22-17(10)26)16-7-14(15(9-24)29-16)21-18(27)13(20)6-11-2-4-12(25)5-3-11/h2-5,8,13-16,24-25H,6-7,9,20H2,1H3,(H,21,27)(H,22,26,28)/t13?,14-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
SASTRA University, Thanjavur, Tamil Nadu 613401, India					Assay Description The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 ...				Bioorg Chem 52: 56-61 (2014) Article DOI: 10.1016/j.bioorg.2013.11.005 BindingDB Entry DOI: 10.7270/Q2MP51ZZ
					More data for this Ligand-Target Pair