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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 96001 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Serine/threonine protein phosphatase PP2B-alpha catalytic subunit
(Homo sapiens (Human)) | BDBM96001
(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/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/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 | |