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BDBM50468579 CHEMBL4287262

SMILES: NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1

InChI Key: InChIKey=FIHJPVBFFYAION-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50468579   
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 4


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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
Mono [ADP-ribose] polymerase PARP16


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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 12


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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 15


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 2.60E+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))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 186n/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 1


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 180n/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 tankyrase-2


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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 2


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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 14


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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
PARP 1, 2 and 3


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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