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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 2' and Ligand = 'BDBM50501835'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50501835
PNG
(CHEMBL4454914)
Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)-c1nn[nH]n1
Show InChI InChI=1S/C17H11N5O3/c18-16(24)12-3-1-2-11-14(23)13(25-15(11)12)8-9-4-6-10(7-5-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...


J Med Chem 62: 5330-5357 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50501835
PNG
(CHEMBL4454914)
Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)-c1nn[nH]n1
Show InChI InChI=1S/C17H11N5O3/c18-16(24)12-3-1-2-11-14(23)13(25-15(11)12)8-9-4-6-10(7-5-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...


J Med Chem 62: 5330-5357 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF
More data for this
Ligand-Target Pair