BindingDB logo
myBDB logout

BDBM68323 2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide::2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide::2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenyl-2-thiazolyl)acetamide::2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenylthiazol-2-yl)acetamide::MLS-0435553.0001::cid_1153409

SMILES: CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1

InChI Key: InChIKey=MITZTRNYXFKKKQ-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 = 68323   
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))
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


(Homo sapiens)
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
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))
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.44E+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 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))
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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, 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)
BDBM68323
PNG
(2-[(4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-...)
Show SMILES CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS2/c1-15-9-10-18-12-16(2)22-26-27-24(29(22)20(18)11-15)32-14-21(30)28(3)23-25-19(13-31-23)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
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