BindingDB logo
myBDB logout

null

SMILES: Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1

InChI Key: InChIKey=VLCJWTGGMJFGGC-UHFFFAOYSA-N

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 3 hits for monomerid = 357634   
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
Myeloperoxidase


(Homo sapiens (Human))
BDBM357634
PNG
(7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...)
Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog # A12222) which...


US Patent US10214527 (2019)


BindingDB Entry DOI: 10.7270/Q2DR2XRQ
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM357634
PNG
(7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...)
Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 188n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM357634
PNG
(7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...)
Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 57n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair