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BDBM243377 6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)pyrimidin-2-yl)amino-7-methoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide::US10053458, 9

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

InChI Key: InChIKey=KLNAYAYIBPVNHG-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 = 243377   
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))
BDBM243377
PNG
(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)py...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
Show InChI InChI=1S/C23H27ClN6O5S2/c1-14(2)36(31,32)21-7-5-4-6-18(21)27-22-17(24)12-26-23(29-22)28-19-10-15-8-9-30(37(25,33)34)13-16(15)11-20(19)35-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,25,33,34)(H2,26,27,28,29)
PDB
MMDB

UniProtKB/TrEMBL

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))
BDBM243377
PNG
(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)py...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
Show InChI InChI=1S/C23H27ClN6O5S2/c1-14(2)36(31,32)21-7-5-4-6-18(21)27-22-17(24)12-26-23(29-22)28-19-10-15-8-9-30(37(25,33)34)13-16(15)11-20(19)35-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,25,33,34)(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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