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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'BDNF/NT-3 growth factors receptor' and Ligand = 'BDBM50532781'   
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))
BDBM50532781
PNG
(CHEMBL4571241)
Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 54n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human TRKB


J Med Chem 59: 6807-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50532781
PNG
(CHEMBL4571241)
Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 54n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human TRKB


J Med Chem 59: 6807-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS
More data for this
Ligand-Target Pair