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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.5
BDBM50181676

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))
BDBM50181676
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)c(C)c2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-17-11-18(15-30-9-7-29(2)8-10-30)3-5-22(17)28-26(32)21-12-20(14-27-25(21)31)19-4-6-23-24(13-19)34-16-33-23/h3-6,11-14H,7-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50181676
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)c(C)c2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-17-11-18(15-30-9-7-29(2)8-10-30)3-5-22(17)28-26(32)21-12-20(14-27-25(21)31)19-4-6-23-24(13-19)34-16-33-23/h3-6,11-14H,7-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair