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5 similar compounds to monomer 56339

Wt: 236.2
BDBM27660
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Wt: 284.7
BDBM50131411
Wt: 270.7
BDBM50183678
Wt: 286.3
BDBM50183683
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Wt: 286.3
BDBM50183685

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 27660,50131411,50183678,50183683,50183685   
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

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CHEMBL
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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

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B.MOAD
antibodypedia
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CHEMBL
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UniChem

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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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131411
PNG
(4-(4-Chloro-benzyl)-2-methyl-2H-phthalazin-1-one |...)
Show SMILES Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131411
PNG
(4-(4-Chloro-benzyl)-2-methyl-2H-phthalazin-1-one |...)
Show SMILES Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 430n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183678
PNG
(4-(2-chlorobenzyl)phthalazin-1(2H)-one | CHEMBL378...)
Show SMILES Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
KEGG

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Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)

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
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CHEMBL
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PC sid
UniChem

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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
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183685
PNG
(4-(naphthalen-2-ylmethyl)phthalazin-1(2H)-one | CH...)
Show SMILES O=c1[nH]nc(Cc2ccc3ccccc3c2)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c22-19-17-8-4-3-7-16(17)18(20-21-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22)
KEGG

UniProtKB/SwissProt

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UniChem

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



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)

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

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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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
Androgen Receptor


(Homo sapiens (human))
BDBM50183678
PNG
(4-(2-chlorobenzyl)phthalazin-1(2H)-one | CHEMBL378...)
Show SMILES Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 1.26E+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
Androgen Receptor


(Homo sapiens (human))
BDBM50183678
PNG
(4-(2-chlorobenzyl)phthalazin-1(2H)-one | CHEMBL378...)
Show SMILES Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.54E+4n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) transfected in Escherichia coli HB 101 after 15 hrs by liquid scintilla...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183683
PNG
(4-(naphthalen-1-ylmethyl)phthalazin-1(2H)-one | CH...)
Show SMILES O=c1[nH]nc(Cc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c22-19-17-11-4-3-10-16(17)18(20-21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.40E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)

More data for this
Ligand-Target Pair