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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Plasmepsin I'   
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
Plasmepsin I


(Plasmodium falciparum)
BDBM8025
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C30H36BrN5O4/c1-19(2)27(36-29(39)23-10-6-7-15-33-23)30(40)35-24(16-20-8-4-3-5-9-20)26(37)18-34-25(28(32)38)17-21-11-13-22(31)14-12-21/h3-15,19,24-27,34,37H,16-18H2,1-2H3,(H2,32,38)(H,35,40)(H,36,39)/t24-,25-,26-,27-/m0/s1
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Article
PubMed
98 -39.6n/an/an/an/an/a4.522



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM8022
PNG
((2S)-N-[(2S,3S)-4-{[(S)-carbamoyl(phenyl)methyl]am...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H35N5O4/c1-19(2)25(34-28(37)22-15-9-10-16-31-22)29(38)33-23(17-20-11-5-3-6-12-20)24(35)18-32-26(27(30)36)21-13-7-4-8-14-21/h3-16,19,23-26,32,35H,17-18H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t23-,24-,25-,26-/m0/s1
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Article
PubMed
>2.00E+3>-32.2n/an/an/an/an/a4.522



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM8023
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-phenylethyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N5O4/c1-20(2)27(35-29(38)23-15-9-10-16-32-23)30(39)34-24(17-21-11-5-3-6-12-21)26(36)19-33-25(28(31)37)18-22-13-7-4-8-14-22/h3-16,20,24-27,33,36H,17-19H2,1-2H3,(H2,31,37)(H,34,39)(H,35,38)/t24-,25-,26-,27-/m0/s1
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Article
PubMed
2.10E+3 -32.1n/an/an/an/an/a4.522



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM8021
PNG
((2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyr...)
Show SMILES CC(C)C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C27H39N5O4/c1-17(2)14-22(25(28)34)30-16-23(33)21(15-19-10-6-5-7-11-19)31-27(36)24(18(3)4)32-26(35)20-12-8-9-13-29-20/h5-13,17-18,21-24,30,33H,14-16H2,1-4H3,(H2,28,34)(H,31,36)(H,32,35)/t21-,22-,23-,24-/m0/s1
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Article
PubMed
2.90E+3 -31.3n/an/an/an/an/a4.522



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Plasmepsin I


(Plasmodium falciparum)
BDBM8024
PNG
((2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(p...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N5O4/c1-20(2)27(35-29(38)23-15-9-10-16-32-23)30(39)34-24(17-21-11-5-3-6-12-21)26(36)19-33-25(28(31)37)18-22-13-7-4-8-14-22/h3-16,20,24-27,33,36H,17-19H2,1-2H3,(H2,31,37)(H,34,39)(H,35,38)/t24-,25+,26-,27-/m0/s1
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PC sid
UniChem

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Article
PubMed
8.00E+3 -28.8n/an/an/an/an/a4.522



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair