Reaction Details Report a problem with these data
Target
BDNF/NT-3 growth factors receptor
Ligand
BDBM50043380
Substrate
n/a
Meas. Tech.
ChEMBL_1444846 (CHEMBL3379616)
IC50
190±n/a nM
Citation
 Johnson, CN; Adelinet, C; Berdini, V; Beke, L; Bonnet, P; Brehmer, D; Calo, F; Coyle, JE; Day, PJ; Frederickson, M; Freyne, EJ; Gilissen, RA; Hamlett, CC; Howard, S; Meerpoel, L; Mevellec, L; McMenamin, R; Pasquier, E; Patel, S; Rees, DC; Linders, JT Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. ACS Med Chem Lett 6:31-6 (2015) [PubMed]  Article 
Target
Name:
BDNF/NT-3 growth factors receptor
Synonyms:
GP145-TrkB | NTRK1/NTRK2 | NTRK2 | NTRK2_HUMAN | Neurotrophic tyrosine kinase receptor type 2 | TRKB | Trk-B | TrkB tyrosine kinase | Tropomyosin-related kinase B | Tropomyosin-related kinase B (TRKB) | Tyrosine kinase receptor B (Trk-B)
Type:
Enzyme
Mol. Mass.:
91996.87
Organism:
Homo sapiens (Human)
Description:
Q16620
Residue:
822
Sequence:
MSSWIRWHGPAMARLWGFCWLVVGFWRAAFACPTSCKCSASRIWCSDPSPGIVAFPRLEPNSVDPENITEIFIANQKRLEIINEDDVEAYVGLRNLTIVDSGLKFVAHKAFLKNSNLQHINFTRNKLTSLSRKHFRHLDLSELILVGNPFTCSCDIMWIKTLQEAKSSPDTQDLYCLNESSKNIPLANLQIPNCGLPSANLAAPNLTVEEGKSITLSCSVAGDPVPNMYWDVGNLVSKHMNETSHTQGSLRITNISSDDSGKQISCVAENLVGEDQDSVNLTVHFAPTITFLESPTSDHHWCIPFTVKGNPKPALQWFYNGAILNESKYICTKIHVTNHTEYHGCLQLDNPTHMNNGDYTLIAKNEYGKDEKQISAHFMGWPGIDDGANPNYPDVIYEDYGTAANDIGDTTNRSNEIPSTDVTDKTGREHLSVYAVVVIASVVGFCLLVMLFLLKLARHSKFGMKGPASVISNDDDSASPLHHISNGSNTPSSSEGGPDAVIIGMTKIPVIENPQYFGITNSQLKPDTFVQHIKRHNIVLKRELGEGAFGKVFLAECYNLCPEQDKILVAVKTLKDASDNARKDFHREAELLTNLQHEHIVKFYGVCVEGDPLIMVFEYMKHGDLNKFLRAHGPDAVLMAEGNPPTELTQSQMLHIAQQIAAGMVYLASQHFVHRDLATRNCLVGENLLVKIGDFGMSRDVYSTDYYRVGGHTMLPIRWMPPESIMYRKFTTESDVWSLGVVLWEIFTYGKQPWYQLSNNEVIECITQGRVLQRPRTCPQEVYELMLGCWQREPHMRKNIKGIHTLLQNLAKASPVYLDILG
  
Inhibitor
Name:
BDBM50043380
Synonyms:
CHEMBL3355065
Type:
Small organic molecule
Emp. Form.:
C25H25F3N4O
Mol. Mass.:
454.4874
SMILES:
CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: