BDBM50624137 CHEMBL5433480

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NNC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)CC)C(N)=O)C(=O)CCSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1

InChI Key InChIKey=QYCDBUNREIVDJG-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 = 50624137   

TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624137(CHEMBL5433480)
Affinity DataIC50: 7nMAssay 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
LigandPNGBDBM50624137(CHEMBL5433480)
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
LigandPNGBDBM50624137(CHEMBL5433480)
Affinity DataKd:  1.70nMAssay 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
LigandPNGBDBM50624137(CHEMBL5433480)
Affinity DataKd:  9.50E+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
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624137(CHEMBL5433480)
Affinity DataKi:  3.20nMAssay 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