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BDBM31075 1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]urea::1-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-(4-morpholinophenyl)urea::1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-morpholin-4-ylphenyl)urea::MLS000050329::N-(2,3-di-2-furyl-6-quinoxalinyl)-N'-[4-(4-morpholinyl)phenyl]urea::SMR000077571::cid_2214554

SMILES: O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

InChI Key: InChIKey=YMYATPIQITWZDJ-UHFFFAOYSA-N

Data: 6 IC50  2 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 = 31075   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a 2.29E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a 1.72E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/an/an/a 1.95E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a 894n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/an/an/a 8.89E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2B27SQ0
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a>5.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a>1.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair