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BDBM214624 US9283222, 754

SMILES: Cc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F

InChI Key: InChIKey=WHJNSCJCXVGDGX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214624   
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))
BDBM214624
PNG
(US9283222, 754)
Show SMILES Cc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C29H29FN6O3/c1-17-31-24-9-7-19(16-26(24)32-17)28(38)35-10-12-36(13-11-35)29(39)22-14-18(6-8-23(22)30)15-25-20-4-2-3-5-21(20)27(37)34-33-25/h6-9,14,16H,2-5,10-13,15H2,1H3,(H,31,32)(H,34,37)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.600n/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