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SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1

InChI Key: InChIKey=YGCFQCIVTNJIRZ-AVCGJXAMSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 103020   
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
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103020
PNG
(US8541363, PVA-026)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/an/an/a



St George's Hosptial Medical School; The University of Manchester

US Patent


Assay Description
The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....


US Patent US8541363 (2013)


BindingDB Entry DOI: 10.7270/Q2PC3105
More data for this
Ligand-Target Pair
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)
BDBM103020
PNG
(US8541363, PVA-026)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of house dust mite Derp-1 after 20 mins


J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM103020
PNG
(US8541363, PVA-026)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 378n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay


J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair