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BDBM43842 Acid, 24::MLS001010895::N-(1,1-diketothiolan-3-yl)-N-methyl-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide::N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::SMR000352944::cid_4409405

SMILES: CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1

InChI Key: InChIKey=XZYHDXZNNDZXSR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43842   
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))
BDBM43842
PNG
(Acid, 24 | MLS001010895 | N-(1,1-diketothiolan-3-y...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1
Show InChI InChI=1S/C20H21N5O3S2/c1-24(17-9-12-30(27,28)14-17)18(26)13-29-20-23-22-19(15-7-10-21-11-8-15)25(20)16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3
PDB
MMDB

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PC cid
PC sid
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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
HIV-1 protease


(Human immunodeficiency virus)
BDBM43842
PNG
(Acid, 24 | MLS001010895 | N-(1,1-diketothiolan-3-y...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1
Show InChI InChI=1S/C20H21N5O3S2/c1-24(17-9-12-30(27,28)14-17)18(26)13-29-20-23-22-19(15-7-10-21-11-8-15)25(20)16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Chem Biol 9: 891-6 (2002)


Article DOI: 10.1016/S1074-5521(02)00184-9
BindingDB Entry DOI: 10.7270/Q2GM85QP
More data for this
Ligand-Target Pair