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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM214477'   
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))
BDBM214477
PNG
(US9283222, 581)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)C[C@H](NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C27H25FN4O5/c28-20-11-10-17(12-21-18-8-4-5-9-19(18)25(34)31-30-21)13-23(20)32-24(33)14-22(26(32)35)29-27(36)37-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,22H,4-5,8-9,12,14-15H2,(H,29,36)(H,31,34)/t22-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/a8.0n/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


US Patent US9283222 (2016)

More data for this
Ligand-Target Pair