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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532.6
BDBM50584703

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50584703
PNG
(CHEMBL5076205)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)C1CCCCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type TrkC (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50584703
PNG
(CHEMBL5076205)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)C1CCCCC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 228n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type TrkB (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50584703
PNG
(CHEMBL5076205)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)C1CCCCC1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 344n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type TrkA (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN
More data for this
Ligand-Target Pair