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BDBM114360 2-methoxy-5-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide::2-methoxy-5-[[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-phthalazin-1-yl]amino]benzamide::2-methoxy-5-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzamide::5-[[4-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]-2-methoxy-benzamide::MLS000714775::SMR000274754::cid_5438298

SMILES: COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O

InChI Key: InChIKey=LGIAETWKSXMAPI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 114360   
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
Prion protein


(Homo sapiens (Human))
BDBM114360
PNG
(2-methoxy-5-[[4-(4-oxidanylidenecyclohexa-2,5-dien...)
Show SMILES COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O
Show InChI InChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,27H,1H3,(H2,23,28)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 759n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair