BDBM8003 (2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]oxy})-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide::(2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indanyl]-2,5-bis[(2E)-3-(4-fluorophenyl)-2-propenyloxy]-3,4-dihydroxyhexane-1,6-diamide::C2-symmetric compound 11

SMILES: O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=HUKDUDADSYWXFC-UYFXVQKTSA-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 = 8003   

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)	BDBM8003 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-fluorophenyl)pro...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C42H42F2N2O8/c43-29-17-13-25(14-18-29)7-5-21-53-39(41(51)45-35-31-11-3-1-9-27(31)23-33(35)47)37(49)38(50)40(54-22-6-8-26-15-19-30(44)20-16-26)42(52)46-36-32-12-4-2-10-28(32)24-34(36)48/h1-20,33-40,47-50H,21-24H2,(H,45,51)(H,46,52)/b7-5+,8-6+/t33-,34-,35+,36+,37-,38-,39-,40-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM8003 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-fluorophenyl)pro...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C42H42F2N2O8/c43-29-17-13-25(14-18-29)7-5-21-53-39(41(51)45-35-31-11-3-1-9-27(31)23-33(35)47)37(49)38(50)40(54-22-6-8-26-15-19-30(44)20-16-26)42(52)46-36-32-12-4-2-10-28(32)24-34(36)48/h1-20,33-40,47-50H,21-24H2,(H,45,51)(H,46,52)/b7-5+,8-6+/t33-,34-,35+,36+,37-,38-,39-,40-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	-9.76	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM8003 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-fluorophenyl)pro...) Show SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C42H42F2N2O8/c43-29-17-13-25(14-18-29)7-5-21-53-39(41(51)45-35-31-11-3-1-9-27(31)23-33(35)47)37(49)38(50)40(54-22-6-8-26-15-19-30(44)20-16-26)42(52)46-36-32-12-4-2-10-28(32)24-34(36)48/h1-20,33-40,47-50H,21-24H2,(H,45,51)(H,46,52)/b7-5+,8-6+/t33-,34-,35+,36+,37-,38-,39-,40-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6
					More data for this Ligand-Target Pair