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3 similar compounds to monomer 50076670

Wt: 440.4
BDBM62838
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Wt: 494.9
BDBM50343410
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Wt: 409.5
BDBM50076556
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 62838,50343410,50076556   
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
Hsf1 protein


(Mus musculus)
BDBM62838
PNG
(4-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)me...)
Show SMILES CCOC(=O)N1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N6O4/c1-4-32-22(31)27-12-10-26(11-13-27)15-17-23-19-18(20(29)25(3)21(30)24(19)2)28(17)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


Citation and Details
More data for this
Ligand-Target Pair
Uracil-DNA glycosylase


(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
BDBM50343410
PNG
(7-(4-chlorobenzyl)-8-((4-(4-methoxyphenyl)piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-29-23-22(24(33)28-25(29)34)32(15-17-3-5-18(26)6-4-17)21(27-23)16-30-11-13-31(14-12-30)19-7-9-20(35-2)10-8-19/h3-10H,11-16H2,1-2H3,(H,28,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A20 protein assessed as inhibition of E9 DNA polymerase-mediated DIG-d...


J Med Chem 54: 3260-7 (2011)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50076556
PNG
(CHEMBL3416558)
Show SMILES CCC1CCCCN1Cc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(C)c1
Show InChI InChI=1/C23H31N5O2/c1-5-18-11-6-7-12-27(18)15-19-24-21-20(22(29)26(4)23(30)25(21)3)28(19)14-17-10-8-9-16(2)13-17/h8-10,13,18H,5-7,11-12,14-15H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...


J Med Chem 58: 1964-75 (2015)

More data for this
Ligand-Target Pair