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BDBM50427924 CHEMBL2323227

SMILES: OC1CC2N(CCc3cccc1c23)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

InChI Key: InChIKey=IZQGPIIOAMUKOS-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50427924   
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
PARP 1, 2 and 3


(Homo sapiens (Human))
BDBM50427924
PNG
(CHEMBL2323227)
Show SMILES OC1CC2N(CCc3cccc1c23)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1/C27H22FN3O3/c28-21-9-8-15(13-22-17-5-1-2-6-18(17)26(33)30-29-22)12-20(21)27(34)31-11-10-16-4-3-7-19-24(32)14-23(31)25(16)19/h1-9,12,23-24,32H,10-11,13-14H2,(H,30,33)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.62E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1 after 1 hr by ELISA


J Med Chem 56: 2885-903 (2013)


Article DOI: 10.1021/jm301825t
BindingDB Entry DOI: 10.7270/Q26M385C
More data for this
Ligand-Target Pair