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BDBM27660 4-Benzyl-2H-phthalazin-1-one::4-benzyl-1,2-dihydrophthalazin-1-one::4-benzylphthalazin-1(2H)-one::CHEMBL66761::phthalazinone, 1

SMILES: O=c1[nH]nc(Cc2ccccc2)c2ccccc12

InChI Key: InChIKey=JUCCMEHWBGPJKS-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 4 hits for monomerid = 27660   
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 1 (PARP1)


(Homo sapiens (human))
BDBM27660
PNG
(4-Benzyl-2H-phthalazin-1-one | 4-benzyl-1,2-dihydr...)
Show SMILES O=c1[nH]nc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-8-12(13)14(16-17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 770n/an/an/an/a7.422



KuDOS Pharmaceuticals Ltd



Assay Description
A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...


Bioorg Med Chem Lett 18: 3942-5 (2008)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM27660
PNG
(4-Benzyl-2H-phthalazin-1-one | 4-benzyl-1,2-dihydr...)
Show SMILES O=c1[nH]nc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-8-12(13)14(16-17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM27660
PNG
(4-Benzyl-2H-phthalazin-1-one | 4-benzyl-1,2-dihydr...)
Show SMILES O=c1[nH]nc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-8-12(13)14(16-17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PubMed
n/an/a 5.37E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 a...


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM27660
PNG
(4-Benzyl-2H-phthalazin-1-one | 4-benzyl-1,2-dihydr...)
Show SMILES O=c1[nH]nc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-8-12(13)14(16-17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



KuDOS Horsham Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)


Bioorg Med Chem Lett 15: 2235-8 (2005)

More data for this
Ligand-Target Pair