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BDBM37640 MLS000079917::N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)acetamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)acetamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)ethanamide::N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide::SMR000039760::US9045483, 4::cid_658861

InChI string: InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)

SMILES: CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=MLAJMOVXMPAZRC-UHFFFAOYSA-N

Data: 2 KI  3 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 7 hits for monomerid = 37640   
Target
(Institution)
LigandTarget
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
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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2.99E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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>4.03E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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PCBioAssay
n/an/an/an/a 0.00452n/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)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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PCBioAssay
n/an/an/an/a 0.0133n/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)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
PDB

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US Patent
n/an/a 8.30E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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n/an/a 4.57E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
NCI pathway
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KEGG

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PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair