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2 similar compounds to monomer 50080471

Compile data set for download or QSAR
Wt: 305.3
BDBM48903
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Wt: 247.2
BDBM49108
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 48903,49108   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM48903
PNG
(2-(6-indolo[3,2-b]quinoxalinyl)acetic acid ethyl e...)
Show SMILES CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C18H15N3O2/c1-2-23-16(22)11-21-15-10-6-3-7-12(15)17-18(21)20-14-9-5-4-8-13(14)19-17/h3-10H,2,11H2,1H3
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n/an/an/an/a 0.00407n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48903
PNG
(2-(6-indolo[3,2-b]quinoxalinyl)acetic acid ethyl e...)
Show SMILES CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C18H15N3O2/c1-2-23-16(22)11-21-15-10-6-3-7-12(15)17-18(21)20-14-9-5-4-8-13(14)19-17/h3-10H,2,11H2,1H3
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n/an/an/an/a 0.00538n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM49108
PNG
(6-ethylindolo[3,2-b]quinoxaline | MLS000105674 | S...)
Show SMILES CCn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C16H13N3/c1-2-19-14-10-6-3-7-11(14)15-16(19)18-13-9-5-4-8-12(13)17-15/h3-10H,2H2,1H3
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n/an/a 914n/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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM48903
PNG
(2-(6-indolo[3,2-b]quinoxalinyl)acetic acid ethyl e...)
Show SMILES CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C18H15N3O2/c1-2-23-16(22)11-21-15-10-6-3-7-12(15)17-18(21)20-14-9-5-4-8-13(14)19-17/h3-10H,2,11H2,1H3
PDB
MMDB

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n/an/a 2.96E+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/Q2V986G8
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM49108
PNG
(6-ethylindolo[3,2-b]quinoxaline | MLS000105674 | S...)
Show SMILES CCn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C16H13N3/c1-2-19-14-10-6-3-7-11(14)15-16(19)18-13-9-5-4-8-12(13)17-15/h3-10H,2H2,1H3
PDB

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n/an/a 6.20E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49108
PNG
(6-ethylindolo[3,2-b]quinoxaline | MLS000105674 | S...)
Show SMILES CCn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C16H13N3/c1-2-19-14-10-6-3-7-11(14)15-16(19)18-13-9-5-4-8-12(13)17-15/h3-10H,2H2,1H3
PDB

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KEGG

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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 0.0112n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair