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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)
LigandTarget/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
pHTemp
°C
Falcipain-2


(Plasmodium falciparum)
BDBM50183405
PNG
(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/an/a 1.32E+4n/an/an/an/an/an/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
PNG
(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/an/a>5.00E+4n/an/an/an/an/an/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