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2 similar compounds to monomer 36414

Compile data set for download or QSAR
Wt: 524.6
BDBM78780
Wt: 345.3
BDBM78077

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78780,78077   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78780
PNG
(5-(1-benzyl-2,4-diketo-quinazolin-3-yl)-N-(1-benzy...)
Show SMILES O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H36N4O3/c37-30(33-27-18-21-34(22-19-27)23-25-11-3-1-4-12-25)17-9-10-20-35-31(38)28-15-7-8-16-29(28)36(32(35)39)24-26-13-5-2-6-14-26/h1-8,11-16,27H,9-10,17-24H2,(H,33,37)
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B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 9.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78780
PNG
(5-(1-benzyl-2,4-diketo-quinazolin-3-yl)-N-(1-benzy...)
Show SMILES O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H36N4O3/c37-30(33-27-18-21-34(22-19-27)23-25-11-3-1-4-12-25)17-9-10-20-35-31(38)28-15-7-8-16-29(28)36(32(35)39)24-26-13-5-2-6-14-26/h1-8,11-16,27H,9-10,17-24H2,(H,33,37)
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PC cid
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PCBioAssay
n/an/a 5.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78780
PNG
(5-(1-benzyl-2,4-diketo-quinazolin-3-yl)-N-(1-benzy...)
Show SMILES O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H36N4O3/c37-30(33-27-18-21-34(22-19-27)23-25-11-3-1-4-12-25)17-9-10-20-35-31(38)28-15-7-8-16-29(28)36(32(35)39)24-26-13-5-2-6-14-26/h1-8,11-16,27H,9-10,17-24H2,(H,33,37)
PDB
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KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78077
PNG
(2-[(3-cyclopentyl-2,4-diketo-quinazolin-1-yl)methy...)
Show SMILES O=c1n(Cc2ccccc2C#N)c2ccccc2c(=O)n1C1CCCC1
Show InChI InChI=1S/C21H19N3O2/c22-13-15-7-1-2-8-16(15)14-23-19-12-6-5-11-18(19)20(25)24(21(23)26)17-9-3-4-10-17/h1-2,5-8,11-12,17H,3-4,9-10,14H2
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n/an/a 2.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair