Reaction Details
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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017327
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.031623±n/a nM
Citation
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More Info.:
Target
Name:
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Synonyms:
3',5'-cyclic phosphodiesterase | DPDE4 | Isoform PDE4B1 | PDE32 | PDE4B | PDE4B1 | PDE4B_HUMAN | Phosphodiesterase 4B | Phosphodiesterase 4B (PDE4B) | Phosphodiesterase 4B (PDE4B1) | Phosphodiesterase Type 4 (PDE4B)
Type:
Protein
Mol. Mass.:
83318.87
Organism:
Homo sapiens (Human)
Description:
Q07343
Residue:
736
Sequence:
MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSAGLVLHATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAASQPPVSRVNPQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDEQNRDCQGLMEKFQFELTLDEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLGETDIDIATEDKSPVDT
Inhibitor
Name:
BDBM50017327
Synonyms:
CHEMBL3288016
Type:
Small organic molecule
Emp. Form.:
C36H41FN6O3S
Mol. Mass.:
656.813
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,44.49,(10.36,-38.26,;11.69,-37.49,;11.68,-35.96,;13.01,-35.19,;13,-33.66,;11.67,-32.9,;10.33,-33.67,;9,-32.91,;8.99,-31.37,;10.32,-30.59,;11.65,-31.35,;7.66,-30.6,;6.32,-31.39,;4.98,-30.62,;4.98,-29.08,;6.32,-28.31,;6.32,-26.77,;4.98,-26,;3.64,-26.77,;2.3,-26,;2.3,-24.45,;.97,-23.68,;3.64,-23.68,;4.98,-24.44,;6.31,-23.67,;6.3,-22.13,;7.64,-24.43,;8.97,-23.66,;10.32,-24.43,;11.64,-23.67,;11.64,-22.13,;10.31,-21.35,;8.97,-22.13,;12.99,-21.35,;14.32,-22.13,;14.32,-23.67,;15.54,-21.18,;17.02,-21.62,;17.88,-20.35,;19.42,-20.3,;16.94,-19.13,;15.49,-19.65,;7.65,-29.07,;14.34,-35.94,;14.35,-37.48,;15.68,-38.25,;13.02,-38.25,)|