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BDBM96001 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine;ethanesulfonic acid::CHEMBL99039::Ethanesulfonic acid, compd. with 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-s-triazine (1:1)::MLS002920148::SMR001797745::[4-amino-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-s-triazin-2-yl]amine;esylic acid::cid_280522

SMILES: CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1

InChI Key: InChIKey=RHDNKXYQUZIPEI-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 96001   
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
Serine/threonine protein phosphatase PP2B-alpha catalytic subunit


(Homo sapiens (Human))
BDBM96001
PNG
(6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-tri...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1 |t:3,6|
Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of PP2B


J Med Chem 49: 1658-67 (2006)


Article DOI: 10.1021/jm051033y
BindingDB Entry DOI: 10.7270/Q20001QF
More data for this
Ligand-Target Pair
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM96001
PNG
(6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-tri...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1 |t:3,6|
Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.40E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair