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BDBM214629 US9283222, 759

SMILES: CN1CCN(CC1=O)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F

InChI Key: InChIKey=HDLJQIBCSHHBRK-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM214629
PNG
(US9283222, 759)
Show SMILES CN1CCN(CC1=O)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C21H23FN4O3/c1-25-8-9-26(12-19(25)27)21(29)16-10-13(6-7-17(16)22)11-18-14-4-2-3-5-15(14)20(28)24-23-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,24,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair