BDBM50035246 2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(1H-indol-3-yl)-propionic acid::CHEMBL303159

SMILES: CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=VFEZBZKVMQPXIZ-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50035246   

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 (Oryctolagus cuniculus (rabbit))	BDBM50035246 (2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...) Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against big ET-1 of Neutral endopeptidase				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50035246 (2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...) Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50035246 (2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...) Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50035246 (2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...) Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Leu-enkeph of Neutral endopeptidase				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair