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BDBM214407 US9283222, 494

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

InChI Key: InChIKey=KADJOPUADITSDE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 214407   
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))
BDBM214407
PNG
(US9283222, 494)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F
Show InChI InChI=1S/C23H28FN5O3/c1-27(2)23(32)29-11-9-28(10-12-29)22(31)18-13-15(7-8-19(18)24)14-20-16-5-3-4-6-17(16)21(30)26-25-20/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/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