BindingDB logo
myBDB logout

BDBM364459 (R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-2H- pyrazolo[4,3-b]pyridin-3-yl]-5-(1- methyl-1H-pyrazol-3-yl)-4- (trifluoromethyl)benzamide, isomer A::US9862707, Example 33::US9862707, Example 34

SMILES: CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1

InChI Key: InChIKey=CDGQZCLRDVGCPS-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 364459   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM364459
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.25n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q2FB5576
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM364459
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...


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


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


(Homo sapiens (Human))
BDBM364459
PNG
((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...)
Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1
Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q2FB5576
More data for this
Ligand-Target Pair