BDBM50530231 CHEMBL4528407

SMILES C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O

InChI Key InChIKey=PRXYUEILDUCTTM-UHFFFAOYSA-N

Data  10 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50530231   

TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.0870nMAssay Description:Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.0870nMAssay Description:Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.140nMAssay Description:Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.140nMAssay Description:Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.470nMAssay Description:Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.470nMAssay Description:Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarboxypeptidase A2(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCarboxypeptidase A2(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCarboxypeptidase A4(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCarboxypeptidase A4(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530231(CHEMBL4528407)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed