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BDBM51319 2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin-1-yl)acetic acid ethyl ester::2-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-(1-piperidinyl)-1-purinyl]acetic acid ethyl ester::EPIRUBICIN HYDROCHLORIDE::MLS000037525::MLS001401404::SMR000041357::SMR000466308::cid_65348::cid_660526::ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate::ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]ethanoate

SMILES: CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O

InChI Key: InChIKey=UEUBDMGNETZVBL-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 51319   
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)
BDBM51319
PNG
(2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3
PDB
MMDB

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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)

More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM51319
PNG
(2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3
PDB

KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.04E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51319
PNG
(2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.40E+3n/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)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51319
PNG
(2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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)

More data for this
Ligand-Target Pair