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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 = 'BDBM50503234'   
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))
BDBM50503234
PNG
(CHEMBL4575703)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human TRKA cytoplasmic domain (441 to 796 residues) expressed in baculovirus expression system using biotin labe...


Eur J Med Chem 175: 129-148 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.053
BindingDB Entry DOI: 10.7270/Q25M691T
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50503234
PNG
(CHEMBL4575703)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...


J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair