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BDBM50360937 CHEMBL1935268

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1

InChI Key: InChIKey=XWPAWCVIIJXLTE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360937   
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))
BDBM50360937
PNG
(CHEMBL1935268)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C30H32N4O6/c1-30(2,3)40-29(39)34-13-11-33(12-14-34)22(36)10-9-21(35)16-7-8-20-19(15-16)23-25-24(27(37)32-28(25)38)17-5-4-6-18(17)26(23)31-20/h7-8,15,31H,4-6,9-14H2,1-3H3,(H,32,37,38)
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MMDB

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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1 by in vitro assay


Bioorg Med Chem Lett 22: 222-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.032
BindingDB Entry DOI: 10.7270/Q2X92BQD
More data for this
Ligand-Target Pair