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BDBM36330 AC-YFG-AMOK 10a

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C

InChI Key: InChIKey=JEVSEWLAYFRUAI-NSOVKSMOSA-N

Data: 3 IC50

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 = 36330   
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
Cathepsin B


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin H


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)

More data for this
Ligand-Target Pair
Cathepsin Z


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)

More data for this
Ligand-Target Pair