BindingDB logo
myBDB logout

null

SMILES: CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](CC#C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 521758   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM521758
PNG
(US11149067, Compound Ahp18)
Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](CC#C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
200n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine protease HTRA3 [111-436]


(Human)
BDBM521758
PNG
(US11149067, Compound Ahp18)
Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](CC#C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.79E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine protease HTRA1 [158-480]


(Homo sapiens (Human))
BDBM521758
PNG
(US11149067, Compound Ahp18)
Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](CC#C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>5.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair