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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 579.0
BDBM193428

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))
BDBM193428
PNG
(US9199944, 10)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H35ClN8O3/c1-20(39)35-10-14-37(15-11-35)23-6-4-22(5-7-23)32-29-31-19-25(30)28(34-29)33-26-9-8-24(18-27(26)41-3)38-16-12-36(13-17-38)21(2)40/h4-9,18-19H,10-17H2,1-3H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 18n/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))
BDBM193428
PNG
(US9199944, 10)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H35ClN8O3/c1-20(39)35-10-14-37(15-11-35)23-6-4-22(5-7-23)32-29-31-19-25(30)28(34-29)33-26-9-8-24(18-27(26)41-3)38-16-12-36(13-17-38)21(2)40/h4-9,18-19H,10-17H2,1-3H3,(H2,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 207n/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