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1 similar compounds to monomer 50387916

Compile data set for download or QSAR
Wt: 274.2
BDBM50387917

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387917   
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))
BDBM50387917
PNG
(CHEMBL2058678 | US9283222, 467)
Show SMILES Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)


Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50387917
PNG
(CHEMBL2058678 | US9283222, 467)
Show SMILES Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
Show InChI InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
116n/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