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BDBM47777 MLS000375249::N-[1-[1-[2-[4-(diethylamino)anilino]-2-keto-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide::N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-benzimidazolyl]ethyl]-4-methylbenzamide::N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide::N-[1-[1-[2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide::SMR000254502::cid_4831653

SMILES: CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=OOVMZULLYUWVCB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 47777   
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
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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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
RGS7


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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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
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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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/Q2F76B0G
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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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/Q2K35S27
More data for this
Ligand-Target Pair