BDBM50059081 CHEMBL3393120

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key InChIKey=OWJJBQYIPYVYTR-NSOBERRGSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50059081   

TargetApical membrane antigen 1(Plasmodium falciparum (isolate 3D7))
La Trobe University

Curated by ChEMBL
LigandPNGBDBM50059081(CHEMBL3393120)
Affinity DataKd:  20nMAssay Description:Binding affinity to Plasmodium falciparum 3D7 AMA1 F367W mutant expressed in Escherichia coli BL21(DE3) at 1 and 3 mM by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApical membrane antigen 1(Plasmodium falciparum (isolate 3D7))
La Trobe University

Curated by ChEMBL
LigandPNGBDBM50059081(CHEMBL3393120)
Affinity DataKd:  23nMAssay Description:Binding affinity to Plasmodium falciparum 3D7 AMA1 (108 to 434) expressed in Escherichia coli BL21(DE3) by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApical membrane antigen 1(Plasmodium falciparum (isolate 3D7))
La Trobe University

Curated by ChEMBL
LigandPNGBDBM50059081(CHEMBL3393120)
Affinity DataKd:  50nMAssay Description:Binding affinity to Plasmodium falciparum 3D7 AMA1 373W insertion mutant expressed in Escherichia coli BL21(DE3) by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed