Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Eosinophil-derived neurotoxin (EDN)'   

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
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
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM50402338 (CHEMBL401150) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of EDN				Bioorg Med Chem 20: 7184-93 (2012) Article DOI: 10.1016/j.bmc.2012.09.067 BindingDB Entry DOI: 10.7270/Q2M61MDG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173618 (1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.61E+4	-26.6	3.31E+4	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173617 (1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.42E+4	-25.3	6.37E+4	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173612 (9-[3'-[4-[(Cytosine-1-yl)methyl]-1,2,3-triazol...) Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(N)nc2=O)nn1 |r,c:3,8,t:1| Show InChI InChI=1S/C17H21N11O4/c18-10-1-2-26(17(31)23-10)3-8-4-28(25-24-8)12-9(5-29)32-16(13(12)30)27-7-22-11-14(19)20-6-21-15(11)27/h1-2,4,6-7,9,11-13,15-16,29-30H,3,5H2,(H2,18,23,31)(H2,19,20,21)/t9-,11?,12+,13?,15?,16-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.78E+4	-24.6	8.86E+4	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173615 (1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+5	-22.8	1.79E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173620 (1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.08E+5	-21.4	2.82E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173611 (9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...) Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)n2cnc3c(NC(=O)c4ccccc4)ncnc23)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.48E+5	-20.9	3.79E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173610 (9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1n1cc(Cn2ccc(=O)[nH]c2=O)nn1)n1cnc2c(NC(=O)c3ccccc3)ncnc12 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.67E+5	-20.7	4.09E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173614 (9-[3'-[4-[(Thymine-1-yl)methyl]-1,2,3-triazol-...) Show SMILES Cc1cn(Cc2cn(nn2)[C@H]2[C@@H](CO)O[C@H](C2O)N2C=NC3C2N=CN=C3N)c(=O)[nH]c1=O |r,c:21,26,28| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.65E+5	-19.9	5.59E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173613 (9-[3'-[4-[(Uracil-1-yl)methyl]-1,2,3-triazol-1...) Show SMILES NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](C1O)n1cc(Cn2ccc(=O)[nH]c2=O)nn1 |r,c:3,8,t:1| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.26E+5	-19.6	6.52E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173616 (5-chloro-1-({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxyme...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cn2cc(Cl)c(=O)[nH]c2=O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.54E+5	-19.4	5.35E+5	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair
Non-secretory ribonuclease (Homo sapiens (Human))	BDBM173619 (5-chloro-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl...) Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1cc(Cl)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.08E+6	-17.2	1.46E+6	n/a	n/a	n/a	n/a	n/a	30
University of Thessaly					Assay Description The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease act...				Bioorg Chem 63: 152-65 (2015) Article DOI: 10.1016/j.bioorg.2015.10.007 BindingDB Entry DOI: 10.7270/Q27H1HCG
					More data for this Ligand-Target Pair