BDBM50642165 CHEMBL5591272

SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CN)CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O

InChI Key InChIKey=JGVFGBUOLXVAMA-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50642165   

TargetAngiotensin-converting enzyme 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50642165(CHEMBL5591272)
Affinity DataKd:  6.10nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNeuropilin-1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50642165(CHEMBL5591272)
Affinity DataKd:  13nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed