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BDBM47696 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-keto-butyric acid methyl ester::4-[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-4-oxobutanoic acid methyl ester::MLS000075656::N-(3-Carbamoyl-4,5-dimethyl-thiophen-2-yl)-succinamic acid methyl ester::SMR000012612::cid_649731::methyl 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate::methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoate

SMILES: COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O

InChI Key: InChIKey=BVBUTVDALUPISO-UHFFFAOYSA-N

Data: 2 KI  1 IC50  14 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 17 hits for monomerid = 47696   
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)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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700n/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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1.14E+3n/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 6.56E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 5.96E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 7.62E+3n/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)

More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 1.41E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 841n/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...


Citation and Details
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/a 3.82E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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...


Citation and Details
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens)
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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n/an/an/an/a 4.36E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair