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7 similar compounds to monomer 65524

Compile data set for download or QSAR
Wt: 343.4
BDBM30781Purchase		Wt: 398.4
BDBM37595		Wt: 244.2
BDBM37596Purchase		Wt: 385.8
BDBM37597Purchase		Wt: 357.4
BDBM37318Purchase
Wt: 357.4
BDBM37319Purchase		Wt: 357.4
BDBM37320Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 30781,37595,37596,37597,37318,37319,37320   
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))		BDBM30781
PNG
(2-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(NCCO)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C17H21N5OS/c1-10-9-11(2)22(21-10)17-19-15(18-7-8-23)14-12-5-3-4-6-13(12)24-16(14)20-17/h9,23H,3-8H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 9.90E+4n/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/Q21N7ZG0
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37595
PNG
(1-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-...)
Show SMILES COc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCN(C)C
Show InChI InChI=1S/C22H26N2O5/c1-14-9-10-17(29-14)20(25)18-19(15-7-5-8-16(13-15)28-4)24(22(27)21(18)26)12-6-11-23(2)3/h5,7-10,13,18-19H,6,11-12H2,1-4H3
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n/an/a>8.00E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37596
PNG
(3-(1-oxidanylidene-1-phenyl-propan-2-yl)oxycyclohe...)
Show SMILES CC(OC1=CC(=O)CCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H16O3/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h2-4,6-7,10-11H,5,8-9H2,1H3
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n/an/a>8.00E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))		BDBM37597
PNG
(4-chloranyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazo...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM37318
PNG
(2-(3,5-dimethyl-1-pyrazolyl)-N-(2-methoxyethyl)-5,...)
Show SMILES COCCNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
Show InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-9-24-3)15-13-6-4-5-7-14(13)25-17(15)21-18/h10H,4-9H2,1-3H3,(H,19,20,21)
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n/an/an/an/a 1.33E+4n/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 Networ...

PubChem Bioassay (2007)


Article DOI: 10.1074/jbc.M112.419069
BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM30781
PNG
(2-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(NCCO)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C17H21N5OS/c1-10-9-11(2)22(21-10)17-19-15(18-7-8-23)14-12-5-3-4-6-13(12)24-16(14)20-17/h9,23H,3-8H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 6.69E+3n/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 Networ...

PubChem Bioassay (2007)


Article DOI: 10.1074/jbc.M112.419069
BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))		BDBM37320
PNG
(1-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES CC(O)CNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
Show InChI InChI=1S/C18H23N5OS/c1-10-8-11(2)23(22-10)18-20-16(19-9-12(3)24)15-13-6-4-5-7-14(13)25-17(15)21-18/h8,12,24H,4-7,9H2,1-3H3,(H,19,20,21)
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n/an/a 1.50E+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 CA...

PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM37320
PNG
(1-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES CC(O)CNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
Show InChI InChI=1S/C18H23N5OS/c1-10-8-11(2)23(22-10)18-20-16(19-9-12(3)24)15-13-6-4-5-7-14(13)25-17(15)21-18/h8,12,24H,4-7,9H2,1-3H3,(H,19,20,21)
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n/an/an/an/a 7.79E+3n/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 Networ...

PubChem Bioassay (2007)


Article DOI: 10.1074/jbc.M112.419069
BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))		BDBM37597
PNG
(4-chloranyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazo...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
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MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)		BDBM37319
PNG
(3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(NCCCO)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-5-9-24)15-13-6-3-4-7-14(13)25-17(15)21-18/h10,24H,3-9H2,1-2H3,(H,19,20,21)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))		BDBM37318
PNG
(2-(3,5-dimethyl-1-pyrazolyl)-N-(2-methoxyethyl)-5,...)
Show SMILES COCCNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
Show InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-9-24-3)15-13-6-4-5-7-14(13)25-17(15)21-18/h10H,4-9H2,1-3H3,(H,19,20,21)
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n/an/a 1.17E+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 CA...

PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))		BDBM37319
PNG
(3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(NCCCO)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-5-9-24)15-13-6-3-4-7-14(13)25-17(15)21-18/h10,24H,3-9H2,1-2H3,(H,19,20,21)
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n/an/a 1.79E+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 CA...

PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM37319
PNG
(3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(NCCCO)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-5-9-24)15-13-6-3-4-7-14(13)25-17(15)21-18/h10,24H,3-9H2,1-2H3,(H,19,20,21)
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n/an/an/an/a 4.28E+3n/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 Networ...

PubChem Bioassay (2007)


Article DOI: 10.1074/jbc.M112.419069
BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair