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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50262050
Substrate
n/a
Meas. Tech.
ChEMBL_1696557 (CHEMBL4047447)
IC50
>30000±n/a nM
Citation
 Mould, DP; Bremberg, U; Jordan, AM; Geitmann, M; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Ogilvie, DJ Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett 27:4755-4759 (2017) [PubMed]  Article 
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:
BDBM50262050
Synonyms:
CHEMBL4066293
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2
Mol. Mass.:
375.4635
SMILES:
COc1ccc(cc1)[C@H]1[C@@H](N([C@H]2CC[C@H](N)CC2)C1=O)c1ccc(cc1)C#N |r,wU:9.22,11.11,wD:8.8,14.15,(24.78,-17.37,;24.38,-18.86,;25.47,-19.95,;26.96,-19.55,;28.05,-20.64,;27.65,-22.12,;26.17,-22.53,;25.08,-21.45,;28.74,-23.21,;28.74,-24.75,;30.28,-24.75,;31.37,-25.84,;32.85,-25.43,;33.93,-26.52,;33.53,-28.01,;34.62,-29.1,;32.04,-28.4,;30.96,-27.32,;30.28,-23.21,;31.37,-22.12,;27.65,-25.84,;26.16,-25.43,;25.07,-26.52,;25.47,-28.01,;26.97,-28.41,;28.05,-27.32,;24.38,-29.1,;23.3,-30.19,)|
Structure:
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