BDBM50099378 CHEMBL3344165

SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1

InChI Key: InChIKey=JROVVTMLFYHVFM-CXYWKTTNSA-M

Data: 3 IC50

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 = 50099378   

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 V (Plasmodium falciparum (isolate 3D7))	BDBM50099378 (CHEMBL3344165) Show SMILES OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C6H13O3S.HI/c1-10-3-4(8)6(9)5(10)2-7;/h4-9H,2-3H2,1H3;1H/q+1;/p-1/t4-,5-,6+,10?;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin V assessed as cleavage of wtKAHRP fluorogenic substrate				J Med Chem 57: 7644-62 (2014) Article DOI: 10.1021/jm500797g BindingDB Entry DOI: 10.7270/Q2CR5W42
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50099378 (CHEMBL3344165) Show SMILES OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C6H13O3S.HI/c1-10-3-4(8)6(9)5(10)2-7;/h4-9H,2-3H2,1H3;1H/q+1;/p-1/t4-,5-,6+,10?;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 assessed as cleavage of TRF substrate				J Med Chem 57: 7644-62 (2014) Article DOI: 10.1021/jm500797g BindingDB Entry DOI: 10.7270/Q2CR5W42
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50099378 (CHEMBL3344165) Show SMILES OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C6H13O3S.HI/c1-10-3-4(8)6(9)5(10)2-7;/h4-9H,2-3H2,1H3;1H/q+1;/p-1/t4-,5-,6+,10?;/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	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin D assessed as cleavage of wtKAHRP fluorogenic substrate				J Med Chem 57: 7644-62 (2014) Article DOI: 10.1021/jm500797g BindingDB Entry DOI: 10.7270/Q2CR5W42
					More data for this Ligand-Target Pair