BDBM50513845 CHEMBL4457677

SMILES: O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1

InChI Key: InChIKey=SUBJBXQKBDAZCB-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 = 50513845   

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 4 (PM-IV) (Plasmodium falciparum)	BDBM50513845 (CHEMBL4457677) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C31H38N2O2S/c34-36(35,27-16-13-23(14-17-27)7-2-1-6-22-8-5-9-22)31-29-19-18-28(33-29)30(31)32-21-24-12-15-25-10-3-4-11-26(25)20-24/h3-4,10-17,20,22,28-33H,1-2,5-9,18-19,21H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50513845 (CHEMBL4457677) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C31H38N2O2S/c34-36(35,27-16-13-23(14-17-27)7-2-1-6-22-8-5-9-22)31-29-19-18-28(33-29)30(31)32-21-24-12-15-25-10-3-4-11-26(25)20-24/h3-4,10-17,20,22,28-33H,1-2,5-9,18-19,21H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184
					More data for this Ligand-Target Pair