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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50502908'   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50502908
PNG
(CHEMBL4468419)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C26H27ClN4O3/c1-4-31-22-8-6-5-7-20(22)29-25(31)14-11-17-9-12-18(13-10-17)28-26(32)30-21-15-19(27)23(33-2)16-24(21)34-3/h5-10,12-13,15-16H,4,11,14H2,1-3H3,(H2,28,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126680
BindingDB Entry DOI: 10.7270/Q2280BVB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50502908
PNG
(CHEMBL4468419)
Show SMILES CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)nc2ccccc12
Show InChI InChI=1S/C26H27ClN4O3/c1-4-31-22-8-6-5-7-20(22)29-25(31)14-11-17-9-12-18(13-10-17)28-26(32)30-21-15-19(27)23(33-2)16-24(21)34-3/h5-10,12-13,15-16H,4,11,14H2,1-3H3,(H2,28,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 849n/an/an/an/an/an/a



Zoetis Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length TRKA expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126680
BindingDB Entry DOI: 10.7270/Q2280BVB
More data for this
Ligand-Target Pair