BDBM50200018 (3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)carbamoyl)phenoxy)benzamido)-3-methylpentanamido)-3-hydroxy-6-methylheptanoic acid butylamide::CHEMBL216917
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](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC
InChI Key: InChIKey=RNIDAYMXGCIYFM-ZGAURXLBSA-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 I (Plasmodium falciparum) | BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | 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 | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.90 | 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 |