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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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/
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85%
100%
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Download
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Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
27
hits of ki for UniProtKB:
Q76NL8
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552265
(CHEMBL4799253)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
220
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552271
(CHEMBL4743280)
Show SMILES
COC(=O)C1CN(CCN1S(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
600
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552264
(CHEMBL4782486)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
900
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552268
(CHEMBL4799260)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(\C=C\c2ccccc2)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552275
(CHEMBL4797916)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552272
(CHEMBL4794156)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1cccc(Br)c1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552263
(CHEMBL4749474)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1cccc(Br)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552269
(CHEMBL4785958)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552270
(CHEMBL4741390)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(CCc2ccccc2)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552266
(CHEMBL4753948)
Show SMILES
COC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552273
(CHEMBL4763576)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(I)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50461717
(CHEMBL4225532)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI
InChI=1S/C24H22BrN3O5S/c25-20-10-12-21(13-11-20)34(32,33)28-15-14-27(16-22(28)23(29)26-31)24(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,22,31H,14-16H2,(H,26,29)
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552258
(CHEMBL4759772)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
3.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552261
(CHEMBL4797275)
Show SMILES
COC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552252
(CHEMBL4787612)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(I)cc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552274
(CHEMBL4747594)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552267
(CHEMBL4749198)
Show SMILES
CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1cccnc1OC)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552262
(CHEMBL4746210)
Show SMILES
ONC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(I)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552260
(CHEMBL4786923)
Show SMILES
ONC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552257
(CHEMBL4744749)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1cccc2ccccc12
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552253
(CHEMBL4748768)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552254
(CHEMBL4760331)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccsc1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552256
(CHEMBL4743581)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)C#C)C(=O)c1ccc(I)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552276
(CHEMBL4779972)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552277
(CHEMBL4795927)
Show SMILES
ONC(=O)C1CNCCN1S(=O)(=O)c1ccc(cc1)C#C
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552259
(CHEMBL4793336)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)C#C)C(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
Falcilysin
(Plasmodium falciparum (isolate 3D7))
BDBM50552255
(CHEMBL4783383)
Show SMILES
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc(I)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Plasmodium falciparum FLN
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127683
BindingDB Entry DOI:
10.7270/Q25B064W
More data for this
Ligand-Target Pair
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