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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 = 'BDBM207623'   
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))
BDBM207623
PNG
(US9260440, 68 | US9617273, Example 68)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cccc4[nH]c2c1c34
Show InChI InChI=1S/C16H14N4O/c1-16-6-3-7-20(16)8-11-13-12-9(15(21)19-18-11)4-2-5-10(12)17-14(13)16/h2,4-5H,3,6-8H2,1H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207623
PNG
(US9260440, 68 | US9617273, Example 68)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cccc4[nH]c2c1c34
Show InChI InChI=1S/C16H14N4O/c1-16-6-3-7-20(16)8-11-13-12-9(15(21)19-18-11)4-2-5-10(12)17-14(13)16/h2,4-5H,3,6-8H2,1H3/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9617273 (2017)

More data for this
Ligand-Target Pair