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BDBM223077 (E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)

SMILES: COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O

InChI Key: InChIKey=PSWOBQSIXLVPDV-CXUHLZMHSA-N

Data: 5 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 5 hits for monomerid = 223077   
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
5'-nucleotidase


(Homo sapiens (Human))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/a7.437



Quaid-I-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Universit£ Libre de Bruxelles (ULB)

Curated by ChEMBL


Assay Description
Inhibition of human MPO


ACS Med Chem Lett 8: 206-210 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00417
BindingDB Entry DOI: 10.7270/Q28K7C3H
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase (IAP)


(Bos taurus (Cattle))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.92E+3n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/a9.837



Quaid-I-Azam University



Assay Description
The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair