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BDBM226477 US9328096, 170

SMILES: O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1

InChI Key: InChIKey=XOCPTMXSHPKLKW-SAABIXHNSA-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 = 226477   
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))
BDBM226477
PNG
(US9328096, 170)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 |wU:4.7,wD:1.0,(.23,-5.74,;-1.3,-5.57,;-1.93,-4.17,;-3.46,-4.01,;-4.36,-5.25,;-3.74,-6.66,;-2.2,-6.82,;-5.89,-5.09,;-6.52,-3.69,;-8.05,-3.52,;-5.62,-2.44,;-4.08,-2.44,;-3.6,-.97,;-2.14,-.5,;-.99,-1.53,;-1.31,-3.04,;.47,-1.05,;1.62,-2.08,;3.08,-1.61,;3.4,-.1,;4.87,.37,;2.26,.93,;.79,.45,;-.35,1.48,;4.23,-2.64,;3.91,-4.14,;5.05,-5.18,;6.52,-4.7,;6.84,-3.19,;5.69,-2.16,;6.01,-.66,;-4.85,-.07,;-6.09,-.97,;-4.85,1.47,;-6.18,2.24,;-6.18,3.78,;-4.85,4.55,;-3.51,3.78,;-3.51,2.24,)|
Show InChI InChI=1S/C28H24Cl2FN5O3/c29-21-14-22(30)20(13-19(21)26-23(31)7-4-12-32-26)27(38)34-25-15-24(35-36(25)17-5-2-1-3-6-17)28(39)33-16-8-10-18(37)11-9-16/h1-7,12-16,18,37H,8-11H2,(H,33,39)(H,34,38)/t16-,18-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.03n/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