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BDBM50131991 3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-one::CHEMBL126602::cid_682361

SMILES: O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1

InChI Key: InChIKey=HYHFPMWIIOXTBM-JLHYYAGUSA-N

Data: 5 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 6 hits for monomerid = 50131991   
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
LAP4


(Saccharomyces cerevisiae)
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.30E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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PCBioAssay
n/an/a>4.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum cyclin dependent protein kinase, PfPK5


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC sid
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Article
PubMed
n/an/a>1.60E+4n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human Cyclin-dependent kinase 1 cyclin B


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk


J Med Chem 46: 3877-82 (2003)


Article DOI: 10.1021/jm0300983
BindingDB Entry DOI: 10.7270/Q2028S9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50131991
PNG
(3-(2-Oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-...)
Show SMILES O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)17-16(13)19/h1-10H,(H,17,19)/b13-10+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair