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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM76085'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76085
PNG
(MLS-0226099.0001 | N-[4-[(4,6-dimethyl-2-pyrimidin...)
Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1
Show InChI InChI=1S/C28H23N5O3S/c1-18-16-19(2)30-28(29-18)33-37(35,36)22-14-12-21(13-15-22)31-27(34)24-17-26(20-8-4-3-5-9-20)32-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,31,34)(H,29,30,33)
PDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.92E+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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76085
PNG
(MLS-0226099.0001 | N-[4-[(4,6-dimethyl-2-pyrimidin...)
Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1
Show InChI InChI=1S/C28H23N5O3S/c1-18-16-19(2)30-28(29-18)33-37(35,36)22-14-12-21(13-15-22)31-27(34)24-17-26(20-8-4-3-5-9-20)32-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,31,34)(H,29,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair