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SMILES: CC1=C(C)C(=O)N(C1=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F

InChI Key: InChIKey=POIBLRBHRDKEJN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 214227   
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))		BDBM214227
PNG
(US9283222, 290)
Show SMILES CC1=C(C)C(=O)N(C1=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F |c:1|
Show InChI InChI=1S/C21H20FN3O3/c1-11-12(2)21(28)25(20(11)27)18-10-13(7-8-16(18)22)9-17-14-5-3-4-6-15(14)19(26)24-23-17/h7-8,10H,3-6,9H2,1-2H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1n/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