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BDBM214485 US9283222, 591

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)COc1ccccc1

InChI Key: InChIKey=KLNUXGBLYLUKDO-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214485   
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))
BDBM214485
PNG
(US9283222, 591)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C27H28FN5O4/c28-22-9-8-18(16-23-25-20(7-4-10-29-25)26(35)31-30-23)15-21(22)27(36)33-13-11-32(12-14-33)24(34)17-37-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,29H,4,7,10-14,16-17H2,(H,31,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/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