Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.5 BDBM50087094

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

Found 5 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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50087094 ((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.				J Med Chem 43: 1398-408 (2001) BindingDB Entry DOI: 10.7270/Q2TQ627J
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50087094 ((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.				J Med Chem 43: 1398-408 (2001) BindingDB Entry DOI: 10.7270/Q2TQ627J
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50087094 ((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.				J Med Chem 43: 1398-408 (2001) BindingDB Entry DOI: 10.7270/Q2TQ627J
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50087094 ((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.				J Med Chem 43: 1398-408 (2001) BindingDB Entry DOI: 10.7270/Q2TQ627J
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50087094 ((R,S,S)1-{[2-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4...) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-20(16-32(30,31)22(25)15-19-11-7-4-8-12-19)23(27)26-21(24(28)29)14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16,25H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/p+1/t20-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description inhibitory activity on angiotensin I converting enzyme (ACE) using cbz-Phe-His-Leu as substrate.				J Med Chem 43: 1398-408 (2001) BindingDB Entry DOI: 10.7270/Q2TQ627J
					More data for this Ligand-Target Pair