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BDBM50157736 3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-ylimino)methyl)benzene-1,2-diol::CHEMBL222325

SMILES: Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O

InChI Key: InChIKey=VWUYUSOZBGBSRJ-KGRJIBJCSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50157736   
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)
BDBM50157736
PNG
(3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-...)
Show SMILES Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O
Show InChI InChI=1S/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H/b25-13-,26-14+
PDB
MMDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2


J Med Chem 47: 6609-15 (2004)


Article DOI: 10.1021/jm0493717
BindingDB Entry DOI: 10.7270/Q2GT5P0D
More data for this
Ligand-Target Pair
Cysteine protease falcipain-3


(Plasmodium falciparum)
BDBM50157736
PNG
(3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-...)
Show SMILES Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O
Show InChI InChI=1S/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H/b25-13-,26-14+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-3


J Med Chem 47: 6609-15 (2004)


Article DOI: 10.1021/jm0493717
BindingDB Entry DOI: 10.7270/Q2GT5P0D
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157736
PNG
(3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-...)
Show SMILES Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O
Show InChI InChI=1S/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H/b25-13-,26-14+
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


J Med Chem 47: 6609-15 (2004)


Article DOI: 10.1021/jm0493717
BindingDB Entry DOI: 10.7270/Q2GT5P0D
More data for this
Ligand-Target Pair