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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 35' and Ligand = 'BDBM68325'   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68325
PNG
(MLS-0435555.0001 | cid_3190037)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCCOc5cc4n23)n1
Show InChI InChI=1S/C25H21N5O4S2/c1-14-9-16-10-20-21(34-8-7-33-20)11-19(16)30-23(14)28-29-25(30)36-13-22(31)27-24-26-18(12-35-24)15-3-5-17(32-2)6-4-15/h3-6,9-12H,7-8,13H2,1-2H3,(H,26,27,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM68325
PNG
(MLS-0435555.0001 | cid_3190037)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCCOc5cc4n23)n1
Show InChI InChI=1S/C25H21N5O4S2/c1-14-9-16-10-20-21(34-8-7-33-20)11-19(16)30-23(14)28-29-25(30)36-13-22(31)27-24-26-18(12-35-24)15-3-5-17(32-2)6-4-15/h3-6,9-12H,7-8,13H2,1-2H3,(H,26,27,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
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