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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM240715'   
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))
BDBM240715
PNG
(US9422243, 13)
Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/a37



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...


US Patent US9422243 (2016)


BindingDB Entry DOI: 10.7270/Q2T72GBH
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM240715
PNG
(US9422243, 13)
Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)


BindingDB Entry DOI: 10.7270/Q2T72GBH
More data for this
Ligand-Target Pair