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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BDNF/NT-3 growth factors receptor' and Ligand = 'BDBM50384722'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50384722
PNG
(CHEMBL2037223)
Show SMILES CN(C)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)N5CCN(C)CC5)c4)ccc23)c1C
Show InChI InChI=1S/C40H45F3N8O3/c1-24-34(45-25(2)36(24)39(54)44-12-7-13-49(3)4)23-33-32-11-10-30(22-35(32)48-38(33)53)46-28-8-6-9-29(21-28)47-37(52)26-18-27(40(41,42)43)20-31(19-26)51-16-14-50(5)15-17-51/h6,8-11,18-23,45-46H,7,12-17H2,1-5H3,(H,44,54)(H,47,52)(H,48,53)/b33-23-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TRKB by HTRF assay


ACS Med Chem Lett 3: 140-145 (2012)


Article DOI: 10.1021/ml200261d
BindingDB Entry DOI: 10.7270/Q2SJ1MNM
More data for this
Ligand-Target Pair