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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.4
BDBM41031

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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM41031
PNG
(2-Methyl-3,9-diphenyl-5,6,7,9-tetrahydro-4H-pyrazo...)
Show SMILES Cc1nn2C(C3C(=O)CCCC3=Nc2c1-c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3O/c1-15-20(16-9-4-2-5-10-16)23-24-18-13-8-14-19(27)21(18)22(26(23)25-15)17-11-6-3-7-12-17/h2-7,9-12,21-22H,8,13-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41031
PNG
(2-Methyl-3,9-diphenyl-5,6,7,9-tetrahydro-4H-pyrazo...)
Show SMILES Cc1nn2C(C3C(=O)CCCC3=Nc2c1-c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21N3O/c1-15-20(16-9-4-2-5-10-16)23-24-18-13-8-14-19(27)21(18)22(26(23)25-15)17-11-6-3-7-12-17/h2-7,9-12,21-22H,8,13-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair