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BDBM243374 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-methoxy-2-acetyl-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine::US10053458, 6

SMILES: COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O

InChI Key: InChIKey=COQMOZVJUSSUKM-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 = 243374   
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 (L1196M)


(Homo sapiens (Human))
BDBM243374
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C25H28ClN5O4S/c1-15(2)36(33,34)23-8-6-5-7-20(23)28-24-19(26)13-27-25(30-24)29-21-11-17-9-10-31(16(3)32)14-18(17)12-22(21)35-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,28,29,30)
PDB
MMDB

B.MOAD
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))
BDBM243374
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C25H28ClN5O4S/c1-15(2)36(33,34)23-8-6-5-7-20(23)28-24-19(26)13-27-25(30-24)29-21-11-17-9-10-31(16(3)32)14-18(17)12-22(21)35-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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