Reaction Details
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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017332
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.125893±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:
BDBM50017332
Synonyms:
CHEMBL3288021
Type:
Small organic molecule
Emp. Form.:
C37H41FN6O4
Mol. Mass.:
652.7576
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3ncccc3O)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,45.50,(12.67,-41.64,;14,-40.87,;13.99,-39.34,;15.32,-38.58,;15.31,-37.04,;13.97,-36.28,;12.64,-37.05,;11.3,-36.29,;11.3,-34.75,;12.62,-33.97,;13.96,-34.73,;9.96,-33.98,;8.62,-34.77,;7.29,-34,;7.28,-32.45,;8.62,-31.69,;8.62,-30.14,;7.28,-29.37,;5.94,-30.15,;4.6,-29.37,;4.6,-27.82,;3.27,-27.06,;5.94,-27.06,;7.28,-27.82,;8.61,-27.05,;8.6,-25.5,;9.95,-27.81,;11.28,-27.04,;11.27,-25.5,;12.61,-24.72,;13.95,-25.5,;13.95,-27.04,;12.62,-27.81,;15.29,-24.72,;16.63,-25.5,;16.63,-27.04,;17.96,-24.73,;19.29,-25.51,;20.62,-24.74,;20.62,-23.21,;19.28,-22.44,;17.96,-23.21,;16.62,-22.44,;9.95,-32.45,;16.65,-39.33,;16.66,-40.87,;17.99,-41.63,;15.33,-41.64,)|