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BDBM50035243 2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)-succinamic acid::CHEMBL67348

SMILES: CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O

InChI Key: InChIKey=ZBBNDIIQSGINFD-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 50035243   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035243
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1/C11H19N3O6/c1-5(2)6(3-9(16)14-20)10(17)13-7(11(18)19)4-8(12)15/h5-7,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035243
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1/C11H19N3O6/c1-5(2)6(3-9(16)14-20)10(17)13-7(11(18)19)4-8(12)15/h5-7,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035243
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1/C11H19N3O6/c1-5(2)6(3-9(16)14-20)10(17)13-7(11(18)19)4-8(12)15/h5-7,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair