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BDBM43849 2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one::2-[1-[(4-methyl-2-thiazolyl)thio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one::2-[1-[(4-methylthiazol-2-yl)thio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one::Acid, 59::MLS000760573::SMR000369830::cid_4881247

SMILES: CC(Sc1nc(C)cs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1

InChI Key: InChIKey=XQAMSKBUGFVQFY-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43849   
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))
BDBM43849
PNG
(2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-5...)
Show SMILES CC(Sc1nc(C)cs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1/C18H15N3OS3/c1-10-8-24-18(19-10)25-11(2)15-20-16(22)14-13(9-23-17(14)21-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21,22)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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)
BDBM43849
PNG
(2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-5...)
Show SMILES CC(Sc1nc(C)cs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1/C18H15N3OS3/c1-10-8-24-18(19-10)25-11(2)15-20-16(22)14-13(9-23-17(14)21-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21,22)
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