BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.1
BDBM193438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM193438
PNG
(US9199944, 20)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C30H37ClN8O5/c1-20(40)36-9-11-37(12-10-36)22-6-8-25(27(18-22)43-3)34-29-32-19-23(31)28(35-29)33-24-7-5-21(17-26(24)42-2)38-13-15-39(16-14-38)30(41)44-4/h5-8,17-19H,9-16H2,1-4H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 130n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)


BindingDB Entry DOI: 10.7270/Q2J96558
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))
BDBM193438
PNG
(US9199944, 20)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C30H37ClN8O5/c1-20(40)36-9-11-37(12-10-36)22-6-8-25(27(18-22)43-3)34-29-32-19-23(31)28(35-29)33-24-7-5-21(17-26(24)42-2)38-13-15-39(16-14-38)30(41)44-4/h5-8,17-19H,9-16H2,1-4H3,(H2,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10E+3n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)


BindingDB Entry DOI: 10.7270/Q2J96558
More data for this
Ligand-Target Pair