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BDBM226850 US9328096, 543

SMILES: O[C@H]1C[C@@H](C1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1

InChI Key: InChIKey=HAXIQZOJDSDNAT-KOMQPUFPSA-N

Data: 1 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 1 hit for monomerid = 226850   
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
Tyrosine kinase receptor A (TrkA)


(Homo sapiens (Human))
BDBM226850
PNG
(US9328096, 543)
Show SMILES O[C@H]1C[C@@H](C1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 |wU:3.5,wD:1.0,(-5.13,-2.63,;-5.13,-1.09,;-4.04,-0,;-5.13,1.09,;-6.22,-0,;-5.13,2.63,;-3.8,3.4,;-3.8,4.94,;-2.46,2.63,;-2.3,1.09,;-.79,.77,;-.17,-.63,;-1.07,-1.88,;-2.6,-1.72,;-.45,-3.29,;-1.35,-4.53,;-.73,-5.94,;.81,-6.1,;1.43,-7.51,;1.71,-4.85,;1.08,-3.45,;1.99,-2.2,;-1.63,-7.18,;-3.16,-7.02,;-4.07,-8.27,;-3.44,-9.68,;-1.91,-9.84,;-1,-8.59,;.53,-8.75,;-.02,2.11,;-1.06,3.25,;1.51,2.27,;2.13,3.68,;3.66,3.84,;4.57,2.59,;3.94,1.18,;2.41,1.02,)|
Show InChI InChI=1S/C26H20Cl2FN5O3/c27-19-12-20(28)18(11-17(19)24-21(29)7-4-8-30-24)25(36)32-23-13-22(26(37)31-14-9-16(35)10-14)33-34(23)15-5-2-1-3-6-15/h1-8,11-14,16,35H,9-10H2,(H,31,37)(H,32,36)/t14-,16-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.69n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
TRKA co-expressed with p75: The assays are based upon DiscoveRx's proprietary Enzyme Fragment Complementation (EFC) technology. In the case of the TR...


US Patent US9328096 (2016)


BindingDB Entry DOI: 10.7270/Q2FN152J
More data for this
Ligand-Target Pair