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BDBM50000999 CHEBI:81724::DIMINAZENE

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

InChI Key: InChIKey=XNYZHCFCZNMTFY-UHFFFAOYSA-N

Data: 2 KI

PDB links: 10 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 2 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
Diamine oxidase (DAO)


(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

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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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)
Spermidine/spermine N(1)-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

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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