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BDBM51368 2-[[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester::2-[[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester::MLS001005868::SMR000349068::cid_2388246::methyl 2-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate::methyl 2-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

SMILES: COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N

InChI Key: InChIKey=YBHLCBZSZSHMNY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51368   
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))
BDBM51368
PNG
(2-[[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl...)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N
Show InChI InChI=1S/C17H16N6O3S/c1-26-16(25)12-6-2-3-7-13(12)20-14(24)10-27-17-22-21-15(23(17)18)11-5-4-8-19-9-11/h2-9H,10,18H2,1H3,(H,20,24)
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MMDB

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Similars

PCBioAssay
n/an/a 5.30E+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/Q2QN6558
More data for this
Ligand-Target Pair