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BDBM68305 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-[4-(p-tolyl)thiazol-2-yl]acetamide::MLS-0435531.0001::N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide::N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide::N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide::cid_16253428

SMILES: Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1

InChI Key: InChIKey=KSBLOCODMPFZJK-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 68305   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
PDB

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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
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n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68305
PNG
(2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)t...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5OS2/c1-14-7-9-16(10-8-14)18-12-30-22(24-18)25-21(29)13-31-23-27-26-20-11-15(2)17-5-3-4-6-19(17)28(20)23/h3-12H,13H2,1-2H3,(H,24,25,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>3.20E+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 Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair