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BDBM55000 (E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-ethyl-3-(2-quinolyl)acrylamide::(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(2-quinolinyl)-2-propenamide::(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-quinolin-2-ylprop-2-enamide::(E)-N-[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-ethyl-3-quinolin-2-yl-prop-2-enamide::MLS001128172::SMR000713765::cid_24979772

SMILES: CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1

InChI Key: InChIKey=PBYHDIQLFOIFMC-OUKQBFOZSA-N

Data: 5 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 5 hits for monomerid = 55000   
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
core protein


(Hepatitis C virus)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
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UniChem
PCBioAssay
n/an/a 1.67E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
PCBioAssay
n/an/a 3.46E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
PDB

UniProtKB/SwissProt

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n/an/a>9.41E+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/Q2WQ02FK
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
PDB

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KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a>9.41E+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
Bcl-2-like protein 1


(Homo sapiens)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.53E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair