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Compile Data Set for Download or QSAR

Found 2 hits of kd for monomerid = 138350   
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


(Mus musculus)		BDBM138350
PNG
(US8877944, 100)
Show SMILES NC(=O)c1cc(Cl)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24ClF2N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/a<10n/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...

US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM138350
PNG
(US8877944, 100)
Show SMILES NC(=O)c1cc(Cl)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24ClF2N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay

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