BDBM50513842 CHEMBL4553173

SMILES: CCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1

InChI Key: InChIKey=FYNBPNBJINMBSG-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 = 50513842   

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)	BDBM50513842 (CHEMBL4553173) Show SMILES CCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:26:25:24:22.21,THB:16:19:24:22.21| Show InChI InChI=1S/C33H44N2O2S/c1-2-3-4-5-6-7-8-9-12-25-16-19-29(20-17-25)38(36,37)33-31-22-21-30(35-31)32(33)34-24-26-15-18-27-13-10-11-14-28(27)23-26/h10-11,13-20,23,30-35H,2-9,12,21-22,24H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.19E+3	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)	BDBM50513842 (CHEMBL4553173) Show SMILES CCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:26:25:24:22.21,THB:16:19:24:22.21| Show InChI InChI=1S/C33H44N2O2S/c1-2-3-4-5-6-7-8-9-12-25-16-19-29(20-17-25)38(36,37)33-31-22-21-30(35-31)32(33)34-24-26-15-18-27-13-10-11-14-28(27)23-26/h10-11,13-20,23,30-35H,2-9,12,21-22,24H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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