BDBM50530229 CHEMBL4460840

SMILES CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C

InChI Key InChIKey=GRMCSCYPDCPNRA-UHFFFAOYSA-N

Data  8 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 8 hits for monomerid = 50530229   

TargetCarboxypeptidase A1(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.0400nMAssay 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
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.0400nMAssay 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 B(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.120nMAssay Description:Inhibition of human CPB1 using AAFA 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 B(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.120nMAssay Description:Inhibition of human CPB1 using AAFA 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
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.390nMAssay 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
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  0.390nMAssay 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 A2(Human)
Universitat Aut£Noma De Barcelona

Curated by ChEMBL
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  1nMAssay 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
LigandPNGBDBM50530229(CHEMBL4460840)
Affinity DataKi:  1nMAssay 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