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BDBM60915 (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinolinyl)-2-propenamide::(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinolyl)acrylamide::(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-quinolin-5-ylprop-2-enamide::(E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-N-quinolin-5-yl-prop-2-enamide::MLS001173932::SMR000591923::cid_9114427

SMILES: Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O

InChI Key: InChIKey=NCKDSNIIFZTKKN-UKTHLTGXSA-N

Data: 12 IC50

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 12 hits for monomerid = 60915   
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
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.27E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 2.14E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.25E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 7.32E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 3.46E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 3.81E+3n/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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a>1.00E+5n/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/Q2CZ35ND
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 8.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 2.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.43E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair