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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'huettenhain' and Initial = 'sh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Papain


(Carica papaya)
BDBM50213272
PNG
(CHEBI:6426 | Leupeptin)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
PDB
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UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50553988
PNG
(Antipain)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50553989
PNG
(CHEMBL4764505)
Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50553990
PNG
(CHEMBL4788595)
Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair