BDBM50200015 (S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-ylamino)-3-methyl-1-oxopentan-2-yl)-carbamoyl)phenoxy)benzamido)propanamido)-6-aminohexanoic acid propyl ester::CHEMBL219639
SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)OCCC)cc1)C(C)CC
InChI Key: InChIKey=QXDJJMAFMVDQQV-SSRYPQIASA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 2 (Plasmodium falciparum) | BDBM50200015 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant PLM2 | J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50200015 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant PLM1 | J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W | |||||||||||
More data for this Ligand-Target Pair |