Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'lucas-soroca' and Initial = 'e'   

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
Neprilysin (Rattus norvegicus (Rat))	BDBM50024094 ((R,S) 2-(2-Mercaptomethyl-3-phenyl-propionylamino)...) Show SMILES C[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024101 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024100 ((R,S) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...) Show SMILES C[C@@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024097 ((R,R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...) Show SMILES C[C@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024098 ((R,R) 2-(1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)...) Show SMILES CC(C)C[C@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)15(18)17-13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024099 ((R,S) 2-(1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)...) Show SMILES CC(C)C[C@@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)15(18)17-13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024096 (((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@H](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)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](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)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Rattus norvegicus (Rat))	BDBM50024095 ((R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-malonamic ...) Show SMILES OC(=O)CC(=O)N[C@H](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)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50006115 ((R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2...) Show SMILES OC(=O)CC(=O)N[C@@H](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)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
					More data for this Ligand-Target Pair