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BDBM47695 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamide::2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)acetamide::2-[(2-Benzotriazol-1-yl-acetyl)-(2-methoxy-phenyl)-amino]-N-(1,1-dimethyl-propyl)-2-(1-methyl-1H-pyrrol-2-yl)-acetamide::2-[2-(benzotriazol-1-yl)ethanoyl-(2-methoxyphenyl)amino]-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)ethanamide::MLS000074185::N-tert-amyl-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxy-anilino)-2-(1-methylpyrrol-2-yl)acetamide::SMR000004342::cid_646963

SMILES: CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C

InChI Key: InChIKey=GPSZYGJYKNXIRT-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 = 47695   
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))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
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))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
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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/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
PDB

KEGG

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B.MOAD
antibodypedia
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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))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
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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))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
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