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BDBM68328 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-(4-methyl-2-thiazolyl)acetamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-(4-methylthiazol-2-yl)acetamide::MLS-0435560.0001::cid_1135732

SMILES: COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1

InChI Key: InChIKey=YBAMKQFFVRKROL-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 = 68328   
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))
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
PDB

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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/Q2CV4G56
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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))
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
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/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
PDB

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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)
BDBM68328
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
Show InChI InChI=1S/C18H17N5O2S2/c1-10-6-12-7-13(25-3)4-5-14(12)23-16(10)21-22-18(23)27-9-15(24)20-17-19-11(2)8-26-17/h4-8H,9H2,1-3H3,(H,19,20,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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