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Target
Cytochrome P450 2B6
Ligand
BDBM16596
Substrate
n/a
Meas. Tech.
ChEMBL_1435701 (CHEMBL3388334)
IC50
>20000±n/a nM
Citation
 Spicer, TP; Jiang, J; Taylor, AB; Choi, JY; Hart, PJ; Roush, WR; Fields, GB; Hodder, PS; Minond, D Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro. J Med Chem 57:9598-611 (2014) [PubMed]  Article 
Target
Name:
Cytochrome P450 2B6
Synonyms:
CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6)
Type:
Protein
Mol. Mass.:
56289.75
Organism:
Homo sapiens (Human)
Description:
P20813
Residue:
491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR
  
Inhibitor
Name:
BDBM16596
Synonyms:
4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide | CHEMBL514794 | MMP Inhibitor, 4 | N,N -bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide | Pyrimidine Dicarboxamide Inhibitor, 4
Type:
Small organic molecule
Emp. Form.:
C22H20F2N4O2
Mol. Mass.:
410.4166
SMILES:
Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F
Structure:
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