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Target
Lysine-specific histone demethylase 2
Ligand
BDBM50155773
Substrate
n/a
Meas. Tech.
ChEMBL_1564918 (CHEMBL3782875)
IC50
43450±n/a nM
Citation
 Vianello, P; Botrugno, OA; Cappa, A; Dal Zuffo, R; Dessanti, P; Mai, A; Marrocco, B; Mattevi, A; Meroni, G; Minucci, S; Stazi, G; Thaler, F; Trifiró, P; Valente, S; Villa, M; Varasi, M; Mercurio, C Discovery of a Novel Inhibitor of Histone Lysine-Specific Demethylase 1A (KDM1A/LSD1) as Orally Active Antitumor Agent. J Med Chem 59:1501-17 (2016) [PubMed]  Article 
Target
Name:
Lysine-specific histone demethylase 2
Synonyms:
AOF1 | C6orf193 | Flavin-containing amine oxidase domain-containing protein 1 | KDM1B | KDM1B_HUMAN | LSD2 | Lysine-specific histone demethylase 1B | Lysine-specific histone demethylase 2
Type:
PROTEIN
Mol. Mass.:
92112.91
Organism:
Homo sapiens (Human)
Description:
ChEMBL_992590
Residue:
822
Sequence:
MATPRGRTKKKASFDHSPDSLPLRSSGRQAKKKATETTDEDEDGGSEKKYRKCEKAGCTATCPVCFASASERCAKNGYTSRWYHLSCGEHFCNECFDHYYRSHKDGYDKYTTWKKIWTSNGKTEPSPKAFMADQQLPYWVQCTKPECRKWRQLTKEIQLTPQIAKTYRCGMKPNTAIKPETSDHCSLPEDLRVLEVSNHWWYSMLILPPLLKDSVAAPLLSAYYPDCVGMSPSCTSTNRAAATGNASPGKLEHSKAALSVHVPGMNRYFQPFYQPNECGKALCVRPDVMELDELYEFPEYSRDPTMYLALRNLILALWYTNCKEALTPQKCIPHIIVRGLVRIRCVQEVERILYFMTRKGLINTGVLSVGADQYLLPKDYHNKSVIIIGAGPAGLAAARQLHNFGIKVTVLEAKDRIGGRVWDDKSFKGVTVGRGAQIVNGCINNPVALMCEQLGISMHKFGERCDLIQEGGRITDPTIDKRMDFHFNALLDVVSEWRKDKTQLQDVPLGEKIEEIYKAFIKESGIQFSELEGQVLQFHLSNLEYACGSNLHQVSARSWDHNEFFAQFAGDHTLLTPGYSVIIEKLAEGLDIQLKSPVQCIDYSGDEVQVTTTDGTGYSAQKVLVTVPLALLQKGAIQFNPPLSEKKMKAINSLGAGIIEKIALQFPYRFWDSKVQGADFFGHVPPSASKRGLFAVFYDMDPQKKHSVLMSVIAGEAVASVRTLDDKQVLQQCMATLRELFKEQEVPDPTKYFVTRWSTDPWIQMAYSFVKTGGSGEAYDIIAEDIQGTVFFAGEATNRHFPQTVTGAYLSGVREASKIAAF
  
Inhibitor
Name:
BDBM50155773
Synonyms:
CHEMBL3781751 | US9469597, 5
Type:
Small organic molecule
Emp. Form.:
C15H22N2
Mol. Mass.:
230.3486
SMILES:
[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Structure:
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