Reaction Details Report a problem with these data
Target
Lysine-specific histone demethylase 1A
Ligand
BDBM501809
Substrate
n/a
Meas. Tech.
ChEMBL_2048837 (CHEMBL4703536)
IC50
0.500000±n/a nM
Citation
Kanouni, T; Severin, C; Cho, RW; Yuen, NY; Xu, J; Shi, L; Lai, C; Del Rosario, JR; Stansfield, RK; Lawton, LN; Hosfield, D; O'Connell, S; Kreilein, MM; Tavares-Greco, P; Nie, Z; Kaldor, SW; Veal, JM; Stafford, JA; Chen, YK Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J Med Chem 63:14522-14529 (2020) [PubMed] Article
More Info.:
Target
Name:
Lysine-specific histone demethylase 1A
Synonyms:
AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1)
Type:
Enzyme
Mol. Mass.:
92901.01
Organism:
Homo sapiens (Human)
Description:
O60341
Residue:
852
Sequence:
MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTPRKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
Inhibitor
Name:
BDBM501809
Synonyms:
4-[6-(4-amino-piperidin-1-yl)-4- methyl-5-oxo-3-p-tolyl-4,5- dihydro-pyrazin-2-yl]-2-fluoro- benzonitrile | US11028066, Example 47
Type:
Small organic molecule
Emp. Form.:
C24H24FN5O
Mol. Mass.:
417.4787
SMILES:
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1