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BDBM244020 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-ethyl-7-isopropoxy-1,1-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine::US10053458, 79

SMILES: CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC(C)C)cc2C1(C)C

InChI Key: InChIKey=ASUISDTWZJUOCV-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 = 244020   
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))
BDBM244020
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-et...)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC(C)C)cc2C1(C)C
Show InChI InChI=1S/C29H38ClN5O3S/c1-8-35-14-13-20-15-24(25(38-18(2)3)16-21(20)29(35,6)7)33-28-31-17-22(30)27(34-28)32-23-11-9-10-12-26(23)39(36,37)19(4)5/h9-12,15-19H,8,13-14H2,1-7H3,(H2,31,32,33,34)
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))
BDBM244020
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-et...)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC(C)C)cc2C1(C)C
Show InChI InChI=1S/C29H38ClN5O3S/c1-8-35-14-13-20-15-24(25(38-18(2)3)16-21(20)29(35,6)7)33-28-31-17-22(30)27(34-28)32-23-11-9-10-12-26(23)39(36,37)19(4)5/h9-12,15-19H,8,13-14H2,1-7H3,(H2,31,32,33,34)
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