BDBM50422743 CHEMBL5275219

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CS)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(O)=O

InChI Key InChIKey=FIGRCOORSPDJDL-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50422743   

TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422743(CHEMBL5275219)
Affinity DataIC50: 10nMAssay Description:Inhibition of human ACE2 (unknown origin) at 0.5 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422743(CHEMBL5275219)
Affinity DataKi:  2.80nMAssay Description:Binding affinity to ACE2 (unknown origin) at 10 uM assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed