BDBM50047222 2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-3-methyl-pentanoylamino]-3-methyl-butyric acid::CHEMBL286500

SMILES: CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O

InChI Key: InChIKey=IEVZTPJUFMSHHO-UOBIKFCOSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50047222   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neprilysin (Rattus norvegicus (Rat))	BDBM50047222 (2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...) Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculté de Pharmacie Curated by ChEMBL					Assay Description Inhibitory activity against endopeptidase 24.15				J Med Chem 36: 1369-79 (1993) BindingDB Entry DOI: 10.7270/Q2736PZX
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50047222 (2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...) Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculté de Pharmacie Curated by ChEMBL					Assay Description Inhibitory activity against endopeptidase 24.11				J Med Chem 36: 1369-79 (1993) BindingDB Entry DOI: 10.7270/Q2736PZX
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50047222 (2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...) Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculté de Pharmacie Curated by ChEMBL					Assay Description Inhibitory activity against Leucine aminopeptidase				J Med Chem 36: 1369-79 (1993) BindingDB Entry DOI: 10.7270/Q2736PZX
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50047222 (2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...) Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculté de Pharmacie Curated by ChEMBL					Assay Description Inhibitory activity against endopeptidase 24.16				J Med Chem 36: 1369-79 (1993) BindingDB Entry DOI: 10.7270/Q2736PZX
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50047222 (2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...) Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculté de Pharmacie Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme				J Med Chem 36: 1369-79 (1993) BindingDB Entry DOI: 10.7270/Q2736PZX
					More data for this Ligand-Target Pair