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BDBM50068755 2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one::CHEMBL125244

SMILES: Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1

InChI Key: InChIKey=NIPIEXNSQBQPML-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50068755   
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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair