BDBM50624129 CHEMBL5395954

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)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)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](Cc3c[nH]cn3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O

InChI Key InChIKey=OCJIEWHJCBUWTR-UHFFFAOYSA-N

Data  1 KI  4 IC50  3 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 8 hits for monomerid = 50624129   

TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataIC50: 2nMAssay 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
LigandPNGBDBM50624129(CHEMBL5395954)
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
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataKd:  0.440nMAssay 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
LigandPNGBDBM50624129(CHEMBL5395954)
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
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataKd:  1.60nMAssay Description:Binding affinity to human ACE2 assessed as dissociation 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
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate at 25 degreeC incubated for 24 hrs with enzyme followed by substrate ad...More 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
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataIC50: 2nMAssay Description:Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate at 25 degreeC incubated for 0.25 hrs with enzyme followed by substrate ...More 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
LigandPNGBDBM50624129(CHEMBL5395954)
Affinity DataKi:  0.890nMAssay 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