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BDBM50373172 C-6474572::CHEMBL265438

SMILES: Oc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1

InChI Key: InChIKey=OJQGZRUBLIAVFY-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50373172   
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
RNase L


(Homo sapiens (Human))
BDBM50373172
PNG
(C-6474572 | CHEMBL265438)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c19-10-7-5-9(6-8-10)14-17-15(20)13-11-3-1-2-4-12(11)21-16(13)18-14/h5-8,19H,1-4H2,(H,17,18,20)
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Article
PubMed
n/an/an/an/a 2.60E+4n/an/an/an/a



Lerner Research Institute

Curated by ChEMBL


Assay Description
Activation of human recombinant Rnase L assessed as cleavage of FRET RNA probe


Proc Natl Acad Sci USA 104: 9585-90 (2007)


Article DOI: 10.1073/pnas.0700590104
BindingDB Entry DOI: 10.7270/Q2G161PZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50373172
PNG
(C-6474572 | CHEMBL265438)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c19-10-7-5-9(6-8-10)14-17-15(20)13-11-3-1-2-4-12(11)21-16(13)18-14/h5-8,19H,1-4H2,(H,17,18,20)
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n/an/a 5.77E+3n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay


J Med Chem 63: 3678-3700 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02178
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50373172
PNG
(C-6474572 | CHEMBL265438)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c19-10-7-5-9(6-8-10)14-17-15(20)13-11-3-1-2-4-12(11)21-16(13)18-14/h5-8,19H,1-4H2,(H,17,18,20)
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n/an/a 7.32E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...


J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair