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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM410190'   
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))
BDBM410190
PNG
(5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3...)
Show SMILES COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...


US Patent US10370379 (2019)


BindingDB Entry DOI: 10.7270/Q2TM7DG5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM410190
PNG
(5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3...)
Show SMILES COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of NTRK1 in human KM12 cells


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))
BDBM410190
PNG
(5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3...)
Show SMILES COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B1G
More data for this
Ligand-Target Pair