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BDBM54678 (3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylidene)-1H-indol-2-one::(3E)-7-bromo-3-(1-ketoindan-2-ylidene)oxindole::(3E)-7-bromo-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one::UNM-0000305764::cid_25220925

SMILES: Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O

InChI Key: InChIKey=GGXAOLJFFTZDJY-WYMLVPIESA-N

Data: 8 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 8 hits for monomerid = 54678   
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
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V40SNS
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
PDB
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26H4FT9
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z31X2S
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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UniChem

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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23N21VG
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D21W1M
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24M92ZV
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W37TR5
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
PDB
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2X34VWJ
More data for this
Ligand-Target Pair