BDBM50173737 (2R,3R,4R,5R)-2,5-Bis-((E)-3-benzo[1,3]dioxol-5-yl-allyloxy)-3,4-dihydroxy-6-oxo-6-[N'-(3-phenyl-propionyl)-hydrazino]-hexanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide::CHEMBL372618

SMILES: O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)NNC(=O)CCc1ccccc1

InChI Key: InChIKey=LBUNQXVGLNKGEB-HWROJPHKSA-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 = 50173737   

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)	BDBM50173737 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-benzo[1,3]dioxol-5-yl...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C44H45N3O12/c48-32-24-30-12-4-5-13-31(30)38(32)45-43(52)41(54-20-6-10-28-14-17-33-35(22-28)58-25-56-33)39(50)40(51)42(44(53)47-46-37(49)19-16-27-8-2-1-3-9-27)55-21-7-11-29-15-18-34-36(23-29)59-26-57-34/h1-15,17-18,22-23,32,38-42,48,50-51H,16,19-21,24-26H2,(H,45,52)(H,46,49)(H,47,53)/b10-6+,11-7+/t32-,38+,39-,40-,41-,42-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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
Plasmepsin 2 (Plasmodium falciparum)	BDBM50173737 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-benzo[1,3]dioxol-5-yl...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C44H45N3O12/c48-32-24-30-12-4-5-13-31(30)38(32)45-43(52)41(54-20-6-10-28-14-17-33-35(22-28)58-25-56-33)39(50)40(51)42(44(53)47-46-37(49)19-16-27-8-2-1-3-9-27)55-21-7-11-29-15-18-34-36(23-29)59-26-57-34/h1-15,17-18,22-23,32,38-42,48,50-51H,16,19-21,24-26H2,(H,45,52)(H,46,49)(H,47,53)/b10-6+,11-7+/t32-,38+,39-,40-,41-,42-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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
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
Cathepsin D (Homo sapiens (Human))	BDBM50173737 ((2R,3R,4R,5R)-2,5-Bis-((E)-3-benzo[1,3]dioxol-5-yl...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C44H45N3O12/c48-32-24-30-12-4-5-13-31(30)38(32)45-43(52)41(54-20-6-10-28-14-17-33-35(22-28)58-25-56-33)39(50)40(51)42(44(53)47-46-37(49)19-16-27-8-2-1-3-9-27)55-21-7-11-29-15-18-34-36(23-29)59-26-57-34/h1-15,17-18,22-23,32,38-42,48,50-51H,16,19-21,24-26H2,(H,45,52)(H,46,49)(H,47,53)/b10-6+,11-7+/t32-,38+,39-,40-,41-,42-/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	800	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