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BDBM244034 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-ethyl-6-methoxy-4,4-trimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine::US10053458, 92

SMILES: CCN1Cc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C(C)(C)C1

InChI Key: InChIKey=IHDNVTSTSSSUJW-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 = 244034   
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))
BDBM244034
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-et...)
Show SMILES CCN1Cc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C(C)(C)C1
Show InChI InChI=1S/C27H34ClN5O3S/c1-7-33-15-18-12-22(23(36-6)13-19(18)27(4,5)16-33)31-26-29-14-20(28)25(32-26)30-21-10-8-9-11-24(21)37(34,35)17(2)3/h8-14,17H,7,15-16H2,1-6H3,(H2,29,30,31,32)
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))
BDBM244034
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-et...)
Show SMILES CCN1Cc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C(C)(C)C1
Show InChI InChI=1S/C27H34ClN5O3S/c1-7-33-15-18-12-22(23(36-6)13-19(18)27(4,5)16-33)31-26-29-14-20(28)25(32-26)30-21-10-8-9-11-24(21)37(34,35)17(2)3/h8-14,17H,7,15-16H2,1-6H3,(H2,29,30,31,32)
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