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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM33196'   
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
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33196
PNG
(MLS001013472 | N-[1,4-diketo-3-(o-anisidino)-2-nap...)
Show SMILES COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H16N2O4/c1-11(22)20-16-17(21-14-9-5-6-10-15(14)25-2)19(24)13-8-4-3-7-12(13)18(16)23/h3-10,21H,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.84E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33196
PNG
(MLS001013472 | N-[1,4-diketo-3-(o-anisidino)-2-nap...)
Show SMILES COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H16N2O4/c1-11(22)20-16-17(21-14-9-5-6-10-15(14)25-2)19(24)13-8-4-3-7-12(13)18(16)23/h3-10,21H,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.41E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair