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BDBM62390 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenyl-2-thiazolyl)acetamide::2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenylthiazol-2-yl)acetamide::MLS-0102574.0001::cid_1135734

SMILES: COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21

InChI Key: InChIKey=DLPNYXAJRXKNEW-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 62390   
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 35


(Homo sapiens)
BDBM62390
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
Show InChI InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/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 Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K072QS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM62390
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
Show InChI InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM62390
PNG
(2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quino...)
Show SMILES COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
Show InChI InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/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