BDBM50183405 4,6-dimethyl-N,N-bis(2-(phenylsulfonyl)ethyl)-1,3,5-triazin-2-amine::CHEMBL380140

SMILES: Cc1nc(C)nc(n1)N(CCS(=O)(=O)c1ccccc1)CCS(=O)(=O)c1ccccc1

InChI Key: InChIKey=KGTFBOBTRMXMPQ-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 = 50183405   

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
Falcipain-2 (Plasmodium falciparum)	BDBM50183405 (4,6-dimethyl-N,N-bis(2-(phenylsulfonyl)ethyl)-1,3,...) Show SMILES Cc1nc(C)nc(n1)N(CCS(=O)(=O)c1ccccc1)CCS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O4S2/c1-17-22-18(2)24-21(23-17)25(13-15-30(26,27)19-9-5-3-6-10-19)14-16-31(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain2				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50183405 (4,6-dimethyl-N,N-bis(2-(phenylsulfonyl)ethyl)-1,3,...) Show SMILES Cc1nc(C)nc(n1)N(CCS(=O)(=O)c1ccccc1)CCS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O4S2/c1-17-22-18(2)24-21(23-17)25(13-15-30(26,27)19-9-5-3-6-10-19)14-16-31(28,29)20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair