Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50036110   

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 (Homo sapiens (Human))	BDBM50002022 ((2-Benzyl-3-hydroxycarbamoyl-propionylamino)-aceti...) Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against neutral endopeptidase				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50002018 (2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4-met...) Show SMILES CC(C)C[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)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-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against neutral endopeptidase				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002031 (1-Mercaptomethyl-3-methylsulfanyl-propyl-ammonium) Show SMILES CSCCC([NH3+])CS Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50002035 ((2-Hydroxycarbamoyl-3-phenyl-propionylamino)-aceti...) Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C12H14N2O5/c15-10(16)7-13-11(17)9(12(18)14-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,17)(H,14,18)(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against neutral endopeptidase				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50368599 (CHEMBL1159809) Show SMILES CS(=O)CCC(N)CS Show InChI InChI=1S/C5H13NOS2/c1-9(7)3-2-5(6)4-8/h5,8H,2-4,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002026 (2-Mercapto-1-methylsulfanylmethyl-ethyl-ammonium) Show SMILES CSCC([NH3+])CS Show InChI InChI=1S/C4H11NS2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50368598 (CHEMBL1159810) Show SMILES CS(=O)CC(N)CS Show InChI InChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002027 (1-Mercaptomethyl-3-methyl-butyl-ammonium) Show SMILES CC(C)CC([NH3+])CS Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002034 (2-Mercapto-1-phenyl-ethyl-ammonium) Show SMILES [NH3+]C(CS)c1ccccc1 Show InChI InChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50036828 (1-Mercaptomethyl-2-phenyl-ethyl-ammonium | 2-Amino...) Show SMILES NC(CS)Cc1ccccc1 Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002019 (2-tert-Butylsulfanyl-1-mercaptomethyl-ethyl-ammoni...) Show SMILES CC(C)(C)SCC([NH3+])CS Show InChI InChI=1S/C7H17NS2/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002037 (2-(4-Hydroxy-phenyl)-1-mercaptomethyl-ethyl-ammoni...) Show SMILES [NH3+]C(CS)Cc1ccc(O)cc1 Show InChI InChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002030 (2-Cyclohexyl-1-mercaptomethyl-ethyl-ammonium) Show SMILES [NH3+]C(CS)CC1CCCCC1 Show InChI InChI=1S/C9H19NS/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50002038 (2-(2-Mercapto-3-phenyl-propionylamino)-4-methyl-pe...) Show SMILES CC(C)C[C@@H](NC(=O)C(S)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S/c1-10(2)8-12(15(18)19)16-14(17)13(20)9-11-6-4-3-5-7-11/h3-7,10,12-13,20H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-,13?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against neutral endopeptidase				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002028 (1-Benzyloxymethyl-2-mercapto-ethyl-ammonium) Show SMILES [NH3+]C(CS)COCc1ccccc1 Show InChI InChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002020 (2-Benzylsulfanyl-1-mercaptomethyl-ethyl-ammonium) Show SMILES [NH3+]C(CS)CSCc1ccccc1 Show InChI InChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002017 (1-Mercaptomethyl-2-naphthalen-2-yl-ethyl-ammonium) Show SMILES [NH3+]C(CS)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C13H15NS/c14-13(9-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,15H,8-9,14H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002024 ((1-Mercaptomethyl-3-methyl-butyl)-methyl-ammonium) Show SMILES C[NH2+]C(CS)CC(C)C Show InChI InChI=1S/C7H17NS/c1-6(2)4-7(5-9)8-3/h6-9H,4-5H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50036826 (1-Benzyl-2-hydroxycarbamoyl-ethyl-ammonium | 3-Ami...) Show SMILES NC(CC(=O)NO)Cc1ccccc1 Show InChI InChI=1S/C10H14N2O2/c11-9(7-10(13)12-14)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002033 (1-Benzylsulfanylmethyl-2-phenyl-ethyl-ammonium) Show SMILES [NH3+]C(CSCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C16H19NS/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16H,11-13,17H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50002029 (Benzyl-(1-mercaptomethyl-2-phenyl-ethyl)-ammonium) Show SMILES SCC(Cc1ccccc1)[NH2+]Cc1ccccc1 Show InChI InChI=1S/C16H19NS/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50036832 ((2-Amino-3-phenyl-propyl)-phosphonic acid | 1-Benz...) Show SMILES NC(Cc1ccccc1)CP(O)(O)=O Show InChI InChI=1S/C9H14NO3P/c10-9(7-14(11,12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50036830 (1-Benzyl-2-carboxy-ethyl-ammonium | 3-Amino-4-phen...) Show SMILES NC(CC(O)=O)Cc1ccccc1 Show InChI InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate				J Med Chem 35: 1259-66 (1992) BindingDB Entry DOI: 10.7270/Q2125T81
					More data for this Ligand-Target Pair