BDBM50173736 (2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-dihydroxy-6-oxo-6-[N'-(3-phenyl-propionyl)-hydrazino]-hexanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide::CHEMBL435119

SMILES: O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)NNC(=O)CCc1ccccc1

InChI Key: InChIKey=YKBNAZMFPQYMFR-YOCJRYFPSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50173736   

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)	BDBM50173736 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H35Br2N3O8/c31-14-6-16-42-27(29(40)33-24-21-11-5-4-10-20(21)18-22(24)36)25(38)26(39)28(43-17-7-15-32)30(41)35-34-23(37)13-12-19-8-2-1-3-9-19/h1-11,14-15,22,24-28,36,38-39H,12-13,16-18H2,(H,33,40)(H,34,37)(H,35,41)/b14-6+,15-7+/t22-,24+,25-,26-,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition constant against plasmepsin 2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate				J Med Chem 48: 6090-106 (2005) Article DOI: 10.1021/jm050463l BindingDB Entry DOI: 10.7270/Q2Z037QR
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50173736 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H35Br2N3O8/c31-14-6-16-42-27(29(40)33-24-21-11-5-4-10-20(21)18-22(24)36)25(38)26(39)28(43-17-7-15-32)30(41)35-34-23(37)13-12-19-8-2-1-3-9-19/h1-11,14-15,22,24-28,36,38-39H,12-13,16-18H2,(H,33,40)(H,34,37)(H,35,41)/b14-6+,15-7+/t22-,24+,25-,26-,27-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition constant against plasmepsin 1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate				J Med Chem 48: 6090-106 (2005) Article DOI: 10.1021/jm050463l BindingDB Entry DOI: 10.7270/Q2Z037QR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50173736 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H35Br2N3O8/c31-14-6-16-42-27(29(40)33-24-21-11-5-4-10-20(21)18-22(24)36)25(38)26(39)28(43-17-7-15-32)30(41)35-34-23(37)13-12-19-8-2-1-3-9-19/h1-11,14-15,22,24-28,36,38-39H,12-13,16-18H2,(H,33,40)(H,34,37)(H,35,41)/b14-6+,15-7+/t22-,24+,25-,26-,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition constant against pro-cathepsin D (50 ng/mL) of human liver upon incubation at pH 4.5 for 10 min using DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-...				J Med Chem 48: 6090-106 (2005) Article DOI: 10.1021/jm050463l BindingDB Entry DOI: 10.7270/Q2Z037QR
					More data for this Ligand-Target Pair