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SMILES: [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(c(n1)C(=O)Nc1ccc(C)cc1)[N+]([O-])=O

InChI Key: InChIKey=JLTNQBKUXUXAAC-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 2 hits for monomerid = 114241   
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))
BDBM114241
PNG
(1-(1-adamantyl)-4-nitro-N-(p-tolyl)pyrazole-3-carb...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(c(n1)C(=O)Nc1ccc(C)cc1)[N+]([O-])=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C21H24N4O3/c1-13-2-4-17(5-3-13)22-20(26)19-18(25(27)28)12-24(23-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16H,6-11H2,1H3,(H,22,26)
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))
BDBM114241
PNG
(1-(1-adamantyl)-4-nitro-N-(p-tolyl)pyrazole-3-carb...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(c(n1)C(=O)Nc1ccc(C)cc1)[N+]([O-])=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C21H24N4O3/c1-13-2-4-17(5-3-13)22-20(26)19-18(25(27)28)12-24(23-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16H,6-11H2,1H3,(H,22,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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/Q2NC5ZV0
More data for this
Ligand-Target Pair