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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 138306   
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 1


(Homo sapiens (Human))		BDBM138306
PNG
(US8877944, 10)
Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H28N4O2/c1-25(2)18-8-6-16(7-9-18)14-26-12-10-19(11-13-26)27-15-17-4-3-5-20(22(24)28)21(17)23(27)29/h3-9,19H,10-15H2,1-2H3,(H2,24,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...

J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Mus musculus)		BDBM138306
PNG
(US8877944, 10)
Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H28N4O2/c1-25(2)18-8-6-16(7-9-18)14-26-12-10-19(11-13-26)27-15-17-4-3-5-20(22(24)28)21(17)23(27)29/h3-9,19H,10-15H2,1-2H3,(H2,24,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6.60E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair