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BDBM50327442 3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-5-bromo-2H-chromen-2-one::CHEMBL1258983

SMILES: CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O

InChI Key: InChIKey=ZFXRVTOTWYJRMF-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327442   
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327442
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O |c:4|
Show InChI InChI=1S/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
DNA polymerase I, thermostable


(Thermus aquaticus)
BDBM50327442
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O |c:4|
Show InChI InChI=1S/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair