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BDBM292002 US10100019, Example 73

SMILES: COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=WAFNARGLJYLMMG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 292002   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM292002
PNG
(US10100019, Example 73)
Show SMILES COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H33ClN6O3S/c1-18(2)37(34,35)24-7-5-4-6-21(24)30-25-20(27)17-29-26(32-25)31-22-16-19(8-9-23(22)36-3)10-13-33-14-11-28-12-15-33/h4-9,16-18,28H,10-15H2,1-3H3,(H2,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)


BindingDB Entry DOI: 10.7270/Q2125VPT
More data for this
Ligand-Target Pair