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BDBM50129202 (S)-2-Amino-4-methyl-pentanoic acid hydroxyamide::(S)-2-amino-N-hydroxy-4-methylpentanamide::CHEMBL303296::L-LEUCYL-HYDROXYLAMINE

SMILES: CC(C)C[C@H](N)C(=O)NO

InChI Key: InChIKey=UJJHPFLWSVFLBE-YFKPBYRVSA-N

Data: 1 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50129202   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM50129202
PNG
((S)-2-Amino-4-methyl-pentanoic acid hydroxyamide |...)
Show SMILES CC(C)C[C@H](N)C(=O)NO
Show InChI InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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Article
PubMed
350n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of metalloprotease from family M28, Aeromonas proteolytica aminopeptidase


Bioorg Med Chem Lett 13: 2097-100 (2003)


Article DOI: 10.1016/s0960-894x(03)00407-4
BindingDB Entry DOI: 10.7270/Q2Z60NF2
More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM50129202
PNG
((S)-2-Amino-4-methyl-pentanoic acid hydroxyamide |...)
Show SMILES CC(C)C[C@H](N)C(=O)NO
Show InChI InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition of [3H]-gabapentin uptake by scintillation counting cis-inhibition as...


Bioorg Med Chem Lett 26: 5000-5006 (2016)

More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50129202
PNG
((S)-2-Amino-4-methyl-pentanoic acid hydroxyamide |...)
Show SMILES CC(C)C[C@H](N)C(=O)NO
Show InChI InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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Article
PubMed
n/an/an/a 1.91E+5n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against Thermolysin


J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)