BDBM50624135 CHEMBL5407252

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)N

InChI Key InChIKey=CTTTWQKKUADUSN-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  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 4 hits for monomerid = 50624135   

TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624135(CHEMBL5407252)
Affinity DataIC50: 4.00E+4nMAssay 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
LigandPNGBDBM50624135(CHEMBL5407252)
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
LigandPNGBDBM50624135(CHEMBL5407252)
Affinity DataKd: >1.00E+4nMAssay 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
LigandPNGBDBM50624135(CHEMBL5407252)
Affinity DataKd: >1.00E+4nMAssay 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