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BDBM36331 Ac-YFR-AMOK 10b

SMILES: [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]

InChI Key: InChIKey=CBTUHYUJRKOQPI-DTXPUJKBSA-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 = 36331   
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)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/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)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin H


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin Z


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+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)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair