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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 = 'BDBM50501848'   
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))
BDBM50501848
PNG
(CHEMBL4435102)
Show SMILES CC(C)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
Show InChI InChI=1S/C25H23N5O4/c1-14(2)24-28-27-20-13-29(10-11-30(20)24)25(33)16-8-6-15(7-9-16)12-19-21(31)17-4-3-5-18(23(26)32)22(17)34-19/h3-9,12,14H,10-11,13H2,1-2H3,(H2,26,32)/b19-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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))
BDBM50501848
PNG
(CHEMBL4435102)
Show SMILES CC(C)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
Show InChI InChI=1S/C25H23N5O4/c1-14(2)24-28-27-20-13-29(10-11-30(20)24)25(33)16-8-6-15(7-9-16)12-19-21(31)17-4-3-5-18(23(26)32)22(17)34-19/h3-9,12,14H,10-11,13H2,1-2H3,(H2,26,32)/b19-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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