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BDBM47698 5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine::5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-7-triazolo[4,5-d]pyrimidinamine::MLS000034072::SMR000007885::[5-tert-Butyl-3-(2-chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-(2-morpholin-4-yl-ethyl)-amine::[5-tert-butyl-3-(2-chlorobenzyl)triazolo[4,5-d]pyrimidin-7-yl]-(2-morpholinoethyl)amine::cid_654918

SMILES: CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1

InChI Key: InChIKey=VHTFUJCCGOFUFU-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 = 47698   
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))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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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))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
PDB
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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))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
PDB

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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))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
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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))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
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