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Target
Cytochrome P450 2B6
Ligand
BDBM50239781
Substrate
n/a
Meas. Tech.
ChEMBL_1667012 (CHEMBL4016808)
IC50
>50000±n/a nM
Citation
 Follmann, M; Ackerstaff, J; Redlich, G; Wunder, F; Lang, D; Kern, A; Fey, P; Griebenow, N; Kroh, W; Becker-Pelster, EM; Kretschmer, A; Geiss, V; Li, V; Straub, A; Mittendorf, J; Jautelat, R; Schirok, H; Schlemmer, KH; Lustig, K; Gerisch, M; Knorr, A; Tinel, H; Mondritzki, T; Trübel, H; Sandner, P; Stasch, JP Discovery of the Soluble Guanylate Cyclase Stimulator Vericiguat (BAY 1021189) for the Treatment of Chronic Heart Failure. J Med Chem 60:5146-5161 (2017) [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:
BDBM50239781
Synonyms:
CHEMBL4066936
Type:
Small organic molecule
Emp. Form.:
C19H16F2N8O2
Mol. Mass.:
426.3795
SMILES:
COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Structure:
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