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BDBM114221 (5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-(phenylmethyl)-1,2-dihydro-1,2,3-triazole-4-carboxamide::(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-N-(phenylmethyl)-1,2-dihydrotriazole-4-carboxamide::(5Z)-N-benzyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,2-dihydrotriazole-4-carboxamide::(5Z)-N-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydrotriazole-4-carboxamide::MLS000053062::N-benzyl-5-(2-hydroxyphenyl)-1H-1,2,3-triazole-4-carboxamide::SMR000069330::cid_5368408

SMILES: Oc1ccccc1-c1nn[nH]c1C(=O)NCc1ccccc1

InChI Key: InChIKey=XXECKKNKXQPNRO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114221   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114221
PNG
((5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-yliden...)
Show SMILES Oc1ccccc1-c1nn[nH]c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c21-13-9-5-4-8-12(13)14-15(19-20-18-14)16(22)17-10-11-6-2-1-3-7-11/h1-9,21H,10H2,(H,17,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114221
PNG
((5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-yliden...)
Show SMILES Oc1ccccc1-c1nn[nH]c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c21-13-9-5-4-8-12(13)14-15(19-20-18-14)16(22)17-10-11-6-2-1-3-7-11/h1-9,21H,10H2,(H,17,22)(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.08E+5n/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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair