BDBM50514485 CHEMBL4580614

SMILES: CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C1CCN(CCC(C)C)CC1

InChI Key: InChIKey=BGRDACPMBHDXJD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50514485   

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
Cathepsin D (Homo sapiens (Human))	BDBM50514485 (CHEMBL4580614) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C36H48N2O2/c1-5-6-7-8-29-9-15-33(16-10-29)36(39)38(34-22-25-37(26-23-34)24-21-28(2)3)27-30-11-13-31(14-12-30)32-17-19-35(40-4)20-18-32/h9-20,28,34H,5-8,21-27H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50514485 (CHEMBL4580614) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C36H48N2O2/c1-5-6-7-8-29-9-15-33(16-10-29)36(39)38(34-22-25-37(26-23-34)24-21-28(2)3)27-30-11-13-31(14-12-30)32-17-19-35(40-4)20-18-32/h9-20,28,34H,5-8,21-27H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 by FRET assay				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622
					More data for this Ligand-Target Pair