Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 5666   

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
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	2.33	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92503 ((2S)-2-[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-3-sulfa...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)C1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18?,19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92502 ((2S)-2-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-su...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 |r| Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18?,19?,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22.3	n/a	43.4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92500 (Kelatorphan) Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	195	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92501 (Retrothiorphan) Show SMILES OC(=O)CC(=O)NC(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair