BDBM50624133 CHEMBL5415513

SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N2

InChI Key InChIKey=FQPNFZIMPYBJLB-UHFFFAOYSA-N

Data  1 KI  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50624133   

TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50624133BDBM50624133(CHEMBL5415513)
Affinity DataKi:  21nMAssay Description:Binding affinity to human ACE2 assessed as inhibition constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50624133BDBM50624133(CHEMBL5415513)
Affinity DataKd:  29nMAssay Description:Binding affinity to human ACE2 assessed as binding constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme(Human)
Bicycletx

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50624133BDBM50624133(CHEMBL5415513)
Affinity DataIC50: 40nMAssay Description:Inhibition of human ACE (30 to 1261 residues) using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50624133BDBM50624133(CHEMBL5415513)
Affinity DataIC50: 47nMAssay Description:Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate incubated for 15 mins followed by substrate addition by fluorescence ba...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme(Human)
Bicycletx

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50624133BDBM50624133(CHEMBL5415513)
Affinity DataKd:  5.10E+3nMAssay Description:Binding affinity to human ACE assessed as binding constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed