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BDBM50452662 CHEMBL4208737

SMILES: NC(=O)c1ccc(OCc2ccccc2F)cc1

InChI Key: InChIKey=ARHAVVDXPGTLBI-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50452662   
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
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...


Bioorg Med Chem 26: 232-244 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa cells after 10 days by methylene blue staining based colony formatio...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD1 (1 to 1014 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DNA as substrate af...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
PARP 1, 2 and 3


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD3 (1 to 533 residues) expressed in Escherichia coli Rosetta2 (DE3) using DNA as subst...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD15 (1 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) after 24 hrs in presence of NAD+


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD2 (1 to 583 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DN...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 4


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD4 (250 to 565 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 2.5 ...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Z-basic-fused human ARTD6 (873 to 1161 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as subst...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 14


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD8 (1535 to 1801 residues) expressed in Escherichia coli Rosetta2 (DE3) after 21 hrs i...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 12


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD12 (469 to 701 residues) expressed in Escherichia coli Rosetta2 (DE3) after 20 hrs in...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 234n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 15


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD7 (482 to 678 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 3 h...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD5 (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 18...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins b...


Bioorg Med Chem 26: 232-244 (2018)

More data for this
Ligand-Target Pair