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SMILES: NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=XNYZHCFCZNMTFY-UHFFFAOYSA-N

PDB links: 11 PDB IDs match this monomer.

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 = 50000999   
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
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
KEGG
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells


Bioorg Med Chem 22: 1983-92 (2014)


Article DOI: 10.1016/j.bmc.2014.02.049
BindingDB Entry DOI: 10.7270/Q2N29ZGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diamine acetyltransferase 1


(Homo sapiens (Human))
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human SSAT using spermidine as substrate


Bioorg Med Chem 22: 1983-92 (2014)


Article DOI: 10.1016/j.bmc.2014.02.049
BindingDB Entry DOI: 10.7270/Q2N29ZGG
More data for this
Ligand-Target Pair
Acid-sensing ion channel 2


(Mus musculus)
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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MCE
KEGG
PC cid
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PubMed
n/an/a 1.69E+5n/an/an/an/an/an/a



Promidis

Curated by ChEMBL


Assay Description
Inhibition of pH 5.5-stimulated mouse ASIC2a homomer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence assay


ACS Med Chem Lett 10: 627-632 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00591
BindingDB Entry DOI: 10.7270/Q2RB77Z0
More data for this
Ligand-Target Pair
Acid-sensing ion channel 2


(Mus musculus)
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
KEGG
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PubMed
n/an/a 4.52E+4n/an/an/an/an/an/a



Promidis

Curated by ChEMBL


Assay Description
Inhibition of pH 6.25-stimulated mouse ASIC1a/2a heterodimer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence...


ACS Med Chem Lett 10: 627-632 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00591
BindingDB Entry DOI: 10.7270/Q2RB77Z0
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Mus musculus)
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.69E+4n/an/an/an/an/an/a



Promidis

Curated by ChEMBL


Assay Description
Inhibition of pH 6.6-stimulated mouse ASIC1a homomer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence assay


ACS Med Chem Lett 10: 627-632 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00591
BindingDB Entry DOI: 10.7270/Q2RB77Z0
More data for this
Ligand-Target Pair