BDBM50624134 CHEMBL5420202

SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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=JXUITWFZUXOHSN-UHFFFAOYSA-N

Data  1 KI  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 5 hits for monomerid = 50624134   

TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624134(CHEMBL5420202)
Affinity DataIC50: 1.20E+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 DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624134(CHEMBL5420202)
Affinity DataIC50: 33nMAssay 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 DepthDetails
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624134(CHEMBL5420202)
Affinity DataKd:  1.10E+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 DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624134(CHEMBL5420202)
Affinity DataKd:  350nMAssay Description:Binding affinity to human ACE assessed as binding constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50624134(CHEMBL5420202)
Affinity DataKi:  5.20E+3nMAssay Description:Binding affinity to human ACE2 assessed as inhibition constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In DepthDetails
PubMed