BindingDB logo
myBDB logout

BDBM56837 8-(3,5-dimethyl-1-pyrazolyl)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione::8-(3,5-dimethylpyrazol-1-yl)-7-(4-fluorobenzyl)-3-methyl-xanthine::8-(3,5-dimethylpyrazol-1-yl)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione::8-(3,5-dimethylpyrazol-1-yl)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione::MLS000083816::SMR000046638::cid_665441

SMILES: Cc1cc(C)n(n1)-c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1

InChI Key: InChIKey=GIVGLZJZTYNMRP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56837   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM56837
PNG
(8-(3,5-dimethyl-1-pyrazolyl)-7-[(4-fluorophenyl)me...)
Show SMILES Cc1cc(C)n(n1)-c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6O2/c1-10-8-11(2)25(22-10)17-20-15-14(16(26)21-18(27)23(15)3)24(17)9-12-4-6-13(19)7-5-12/h4-8H,9H2,1-3H3,(H,21,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair