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BDBM47706 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide::2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide::2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide::2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide::2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide::MLS000051063::SMR000078897::cid_1260067

SMILES: Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1

InChI Key: InChIKey=RIFQIPVOGIMLGY-UHFFFAOYSA-N

Data: 5 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 = 47706   
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
RGS7


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
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PC sid
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair