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4 similar compounds to monomer 50339267

Compile data set for download or QSAR
Wt: 413.3
BDBM50339268
Wt: 413.3
BDBM50339269
Wt: 413.3
BDBM50339270
Wt: 392.8
BDBM50339271

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50339268,50339269,50339270,50339271   
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)
BDBM50339268
PNG
((Z/E)-5-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2NC(=O)C(C=NCCCNc3ccnc4cc(Cl)ccc34)c2c1
Show InChI InChI=1/C21H18Cl2N4O/c22-13-3-5-19-16(10-13)17(21(28)27-19)12-24-7-1-8-25-18-6-9-26-20-11-14(23)2-4-15(18)20/h2-6,9-12,17H,1,7-8H2,(H,25,26)(H,27,28)/b24-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339271
PNG
((Z/E)-3-((3-(7-chloroquinolin-4-ylamino)propylamin...)
Show SMILES CN1C(=O)C(C=NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc12
Show InChI InChI=1/C22H21ClN4O/c1-27-21-6-3-2-5-16(21)18(22(27)28)14-24-10-4-11-25-19-9-12-26-20-13-15(23)7-8-17(19)20/h2-3,5-9,12-14,18H,4,10-11H2,1H3,(H,25,26)/b24-14+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339270
PNG
((Z/E)-7-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2c(NCCCN=CC3C(=O)Nc4c3cccc4Cl)ccnc2c1
Show InChI InChI=1/C21H18Cl2N4O/c22-13-5-6-15-18(7-10-26-19(15)11-13)25-9-2-8-24-12-16-14-3-1-4-17(23)20(14)27-21(16)28/h1,3-7,10-12,16H,2,8-9H2,(H,25,26)(H,27,28)/b24-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50339269
PNG
((Z/E)-6-chloro-3-((3-(7-chloroquinolin-4-ylamino)p...)
Show SMILES Clc1ccc2C(C=NCCCNc3ccnc4cc(Cl)ccc34)C(=O)Nc2c1
Show InChI InChI=1/C21H18Cl2N4O/c22-13-3-5-16-18(6-9-26-19(16)10-13)25-8-1-7-24-12-17-15-4-2-14(23)11-20(15)27-21(17)28/h2-6,9-12,17H,1,7-8H2,(H,25,26)(H,27,28)/b24-12+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...


Eur J Med Chem 46: 927-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.008
BindingDB Entry DOI: 10.7270/Q2ZC8345
More data for this
Ligand-Target Pair