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BDBM51764 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid methyl ester::4-cyano-3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester::MLS000324652::SMR000159407::cid_1009439::methyl 4-cyano-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate::methyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate::methyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate

SMILES: COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C

InChI Key: InChIKey=GLSVKWAKZYLJCD-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 51764   
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
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51764
PNG
(4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)...)
Show SMILES COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C24H17N3O3S/c1-14-18(13-25)23(31-21(14)24(29)30-2)27-22(28)17-12-20(15-8-4-3-5-9-15)26-19-11-7-6-10-16(17)19/h3-12H,1-2H3,(H,27,28)
PDB
MMDB

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PCBioAssay
n/an/a 2.08E+3n/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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 10B


(Homo sapiens (Human))
BDBM51764
PNG
(4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)...)
Show SMILES COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C24H17N3O3S/c1-14-18(13-25)23(31-21(14)24(29)30-2)27-22(28)17-12-20(15-8-4-3-5-9-15)26-19-11-7-6-10-16(17)19/h3-12H,1-2H3,(H,27,28)
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n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM51764
PNG
(4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)...)
Show SMILES COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C24H17N3O3S/c1-14-18(13-25)23(31-21(14)24(29)30-2)27-22(28)17-12-20(15-8-4-3-5-9-15)26-19-11-7-6-10-16(17)19/h3-12H,1-2H3,(H,27,28)
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KEGG

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n/an/a 2.86E+4n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51764
PNG
(4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)...)
Show SMILES COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C24H17N3O3S/c1-14-18(13-25)23(31-21(14)24(29)30-2)27-22(28)17-12-20(15-8-4-3-5-9-15)26-19-11-7-6-10-16(17)19/h3-12H,1-2H3,(H,27,28)
PDB
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n/an/a 1.15E+3n/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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair