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BDBM214555 US9283222, 678

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)C(=O)c1cc[nH]n1

InChI Key: InChIKey=YXLQMPQABXLLRQ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214555   
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


(Homo sapiens (Human))
BDBM214555
PNG
(US9283222, 678)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)C(=O)c1cc[nH]n1
Show InChI InChI=1S/C24H25FN6O3/c25-19-6-5-15(14-21-16-3-1-2-4-17(16)22(32)29-28-21)13-18(19)23(33)30-9-11-31(12-10-30)24(34)20-7-8-26-27-20/h5-8,13H,1-4,9-12,14H2,(H,26,27)(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/a8.0n/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...


US Patent US9283222 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64XD
More data for this
Ligand-Target Pair