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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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Compile Data Set for Download or QSAR
Found
26
hits with Last Name = 'cardenas' and Initial = 'a'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
PDB
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
PDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591318
(CHEMBL5204196)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
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GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
9
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
3D Structure (crystal)
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591315
(CHEMBL5172999)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591319
(CHEMBL5204856)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(NC(=O)c2ccccc2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
32
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin X
(Plasmodium falciparum (isolate 3D7))
BDBM50591316
(CHEMBL5208335)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
37
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591315
(CHEMBL5172999)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
58
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
64
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin IX
(Plasmodium falciparum (isolate 3D7))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
142
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin IX
(Plasmodium falciparum (isolate 3D7))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
142
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Renin
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
180
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591318
(CHEMBL5204196)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
215
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Plasmepsin IX
(Plasmodium falciparum (isolate 3D7))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
250
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Renin
(Homo sapiens (Human))
BDBM50591316
(CHEMBL5208335)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.07E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591316
(CHEMBL5208335)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.19E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Renin
(Homo sapiens (Human))
BDBM50591318
(CHEMBL5204196)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
2.36E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.89E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Cathepsin D
(Homo sapiens (Human))
BDBM50591319
(CHEMBL5204856)
Show SMILES
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(NC(=O)c2ccccc2)c1Cl |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Renin
(Homo sapiens (Human))
BDBM50591320
(CHEMBL5190700)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.40E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.70E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily D member 3
(Homo sapiens (Human))
BDBM50591317
(CHEMBL5191783)
Show SMILES
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.80E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01336
BindingDB Entry DOI:
10.7270/Q2988C16
More data for this
Ligand-Target Pair
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