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BDBM47693 1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-piperidin-4-ol::1-[3-(2-chloro-6-fluoro-benzyl)triazolo[4,5-d]pyrimidin-7-yl]piperidin-4-ol::1-[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperidin-4-ol::1-[3-[(2-chloro-6-fluorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-4-piperidinol::1-[3-[(2-chloro-6-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]piperidin-4-ol::MLS000075681::SMR000000498::cid_644683

SMILES: OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12

InChI Key: InChIKey=UHOUASRWZDWQLB-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 = 47693   
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))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/cb400177q
BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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