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BDBM50309229 6-(3-(4-(2-(dimethylamino)-2-methylpropanoyl)piperazine-1-carbonyl)-4-fluorobenzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL605575

SMILES: CN(C)C(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F

InChI Key: InChIKey=MNGQRBJYINPKBW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309229   
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))
BDBM50309229
PNG
(6-(3-(4-(2-(dimethylamino)-2-methylpropanoyl)piper...)
Show SMILES CN(C)C(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F
Show InChI InChI=1S/C24H32FN5O3/c1-15-16(2)21(31)27-26-20(15)14-17-7-8-19(25)18(13-17)22(32)29-9-11-30(12-10-29)23(33)24(3,4)28(5)6/h7-8,13H,9-12,14H2,1-6H3,(H,27,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1


Bioorg Med Chem Lett 20: 1100-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.087
BindingDB Entry DOI: 10.7270/Q2Z89CJ6
More data for this
Ligand-Target Pair