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BDBM244022 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-ethoxy-2-ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine::US10053458, 81

SMILES: CCOc1cc2c(CN(CC)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=NDZWSLCADDOVRZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 244022   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM244022
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-et...)
Show SMILES CCOc1cc2c(CN(CC)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-7-34-16-19-13-23(24(37-8-2)14-20(19)28(5,6)17-34)32-27-30-15-21(29)26(33-27)31-22-11-9-10-12-25(22)38(35,36)18(3)4/h9-15,18H,7-8,16-17H2,1-6H3,(H2,30,31,32,33)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent




US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM244022
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-et...)
Show SMILES CCOc1cc2c(CN(CC)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-7-34-16-19-13-23(24(37-8-2)14-20(19)28(5,6)17-34)32-27-30-15-21(29)26(33-27)31-22-11-9-10-12-25(22)38(35,36)18(3)4/h9-15,18H,7-8,16-17H2,1-6H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...


US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair