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BDBM213905 BDBM214387::US9283222, Table 3, Compound 12

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1

InChI Key: InChIKey=ZVXMHDWHHKUIET-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 213905   
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))
BDBM213905
PNG
(BDBM214387 | US9283222, Table 3, Compound 12)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)
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
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213905
PNG
(BDBM214387 | US9283222, Table 3, Compound 12)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.700n/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