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BDBM291999 US10100019, Example 70

SMILES: COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=YLAPHXZIXJJZIH-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 291999   
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))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.37n/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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild-type ALK (unknown origin) using peptide as substrate measured after 30 mins by fluorescence assay


Eur J Med Chem 126: 536-549 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.046
BindingDB Entry DOI: 10.7270/Q2ZW1P4Q
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)


BindingDB Entry DOI: 10.7270/Q2125VPT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)


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