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3 similar compounds to monomer 50079612

Compile data set for download or QSAR
Wt: 326.3
BDBM94267
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Wt: 264.2
BDBM50079616
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Wt: 266.2
BDBM50079615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 94267,50079616,50079615   
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
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM94267
PNG
(4-[3-[(2-methylanilino)-oxomethyl]anilino]-4-oxobu...)
Show SMILES Cc1ccccc1NC(=O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C18H18N2O4/c1-12-5-2-3-8-15(12)20-18(24)13-6-4-7-14(11-13)19-16(21)9-10-17(22)23/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,24)(H,22,23)
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KEGG

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PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079615
PNG
(CHEMBL3414765)
Show SMILES COC(CC(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O5/c1-19-9(6-10(15)16)12(18)14-8-4-2-3-7(5-8)11(13)17/h2-5,9H,6H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
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Article
PubMed
n/an/a 7.41E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079616
PNG
(CHEMBL3414766)
Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
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Article
PubMed
n/an/a 9.55E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079616
PNG
(CHEMBL3414766)
Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assess...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079616
PNG
(CHEMBL3414766)
Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079615
PNG
(CHEMBL3414765)
Show SMILES COC(CC(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O5/c1-19-9(6-10(15)16)12(18)14-8-4-2-3-7(5-8)11(13)17/h2-5,9H,6H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079616
PNG
(CHEMBL3414766)
Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
PDB
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PC cid
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Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079616
PNG
(CHEMBL3414766)
Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079615
PNG
(CHEMBL3414765)
Show SMILES COC(CC(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O5/c1-19-9(6-10(15)16)12(18)14-8-4-2-3-7(5-8)11(13)17/h2-5,9H,6H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
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Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079615
PNG
(CHEMBL3414765)
Show SMILES COC(CC(O)=O)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O5/c1-19-9(6-10(15)16)12(18)14-8-4-2-3-7(5-8)11(13)17/h2-5,9H,6H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.24E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair