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BDBM60247 2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one::2-imino-5-methyl-3-[5-(3-methylbenzyl)thiazol-2-yl]thiazolidin-4-one::2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one::2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-4-thiazolidinone::MLS000719302::SMR000291570::cid_4879304

SMILES: CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1

InChI Key: InChIKey=MHFJPGDMYSQGCH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 60247   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM60247
PNG
(2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methy...)
Show SMILES CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
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PC sid
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PCBioAssay
n/an/a 847n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM60247
PNG
(2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methy...)
Show SMILES CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
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n/an/a 2.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM60247
PNG
(2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methy...)
Show SMILES CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
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MMDB

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n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60247
PNG
(2-azanylidene-5-methyl-3-[5-[(3-methylphenyl)methy...)
Show SMILES CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
Show InChI InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
PDB

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n/an/a 5.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair