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BDBM214533 US9283222, 649

SMILES: Oc1ccc(cn1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F

InChI Key: InChIKey=AZVCICSZBIIIMC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214533   
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))
BDBM214533
PNG
(US9283222, 649)
Show SMILES Oc1ccc(cn1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C25H25FN6O4/c26-19-5-3-15(13-20-22-17(2-1-7-27-22)23(34)30-29-20)12-18(19)25(36)32-10-8-31(9-11-32)24(35)16-4-6-21(33)28-14-16/h3-6,12,14,27H,1-2,7-11,13H2,(H,28,33)(H,30,34)
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