Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 703.7 BDBM50287430

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 6: 1629-1634 (1996) Article DOI: 10.1016/0960-894X(96)00297-1 BindingDB Entry DOI: 10.7270/Q2697437
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE C-terminal domain				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...				Bioorg Med Chem Lett 6: 1629-1634 (1996) Article DOI: 10.1016/0960-894X(96)00297-1 BindingDB Entry DOI: 10.7270/Q2697437
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ECE1				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).				Bioorg Med Chem Lett 6: 1629-1634 (1996) Article DOI: 10.1016/0960-894X(96)00297-1 BindingDB Entry DOI: 10.7270/Q2697437
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50287430 ((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic NEP				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair