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16 similar compounds to monomer 75438

Compile data set for download or QSAR
Wt: 332.4
BDBM154520
Wt: 445.5
BDBM154521
Wt: 405.5
BDBM154522
Wt: 415.5
BDBM67059
Wt: 373.5
BDBM75439
Wt: 443.6
BDBM75440
Wt: 429.5
BDBM75441
Wt: 403.5
BDBM75442
Wt: 403.5
BDBM75443
Wt: 445.5
BDBM79376
Wt: 433.5
BDBM84122
Wt: 473.6
BDBM84123
Wt: 459.6
BDBM84124
Wt: 503.6
BDBM84125
Wt: 505.6
BDBM84126
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 154520,154521,154522,67059,75439,75440,75441,75442,75443,79376,84122,84123,84124,84125,84126   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM67059
PNG
(4-[2-[4-(2-phenyl-1-benzothiophen-3-yl)phenoxy]eth...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H25NO2S/c1-2-6-21(7-3-1)26-25(23-8-4-5-9-24(23)30-26)20-10-12-22(13-11-20)29-19-16-27-14-17-28-18-15-27/h1-13H,14-19H2
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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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 Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75440
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO2S/c1-30-24-9-7-8-22(20-24)28-27(25-10-3-4-11-26(25)32-28)21-12-14-23(15-13-21)31-19-18-29-16-5-2-6-17-29/h3-4,7-15,20H,2,5-6,16-19H2,1H3
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n/an/an/an/a 5.46E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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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 Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a 1.24E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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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 Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/an/an/a>5.70E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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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: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/an/an/a>4.30E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a 2.91E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79376
PNG
(4-[2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-22-10-8-21(9-11-22)27-26(24-4-2-3-5-25(24)32-27)20-6-12-23(13-7-20)31-19-16-28-14-17-30-18-15-28/h2-13H,14-19H2,1H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79376
PNG
(4-[2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-22-10-8-21(9-11-22)27-26(24-4-2-3-5-25(24)32-27)20-6-12-23(13-7-20)31-19-16-28-14-17-30-18-15-28/h2-13H,14-19H2,1H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75440
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO2S/c1-30-24-9-7-8-22(20-24)28-27(25-10-3-4-11-26(25)32-28)21-12-14-23(15-13-21)31-19-18-29-16-5-2-6-17-29/h3-4,7-15,20H,2,5-6,16-19H2,1H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79376
PNG
(4-[2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-22-10-8-21(9-11-22)27-26(24-4-2-3-5-25(24)32-27)20-6-12-23(13-7-20)31-19-16-28-14-17-30-18-15-28/h2-13H,14-19H2,1H3
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n/an/a 1.51E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
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Article
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n/an/an/an/a 1.02E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12419
BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84123
PNG
(1-[2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothio...)
Show SMILES COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31NO3S/c1-31-24-8-6-7-22(19-24)29-28(26-20-25(32-2)13-14-27(26)34-29)21-9-11-23(12-10-21)33-18-17-30-15-4-3-5-16-30/h6-14,19-20H,3-5,15-18H2,1-2H3
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n/an/an/an/a 1.12E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12419
BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84124
PNG
(1-[2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothio...)
Show SMILES COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H29NO3S/c1-30-23-7-5-6-21(18-23)28-27(25-19-24(31-2)12-13-26(25)33-28)20-8-10-22(11-9-20)32-17-16-29-14-3-4-15-29/h5-13,18-19H,3-4,14-17H2,1-2H3
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n/an/an/an/a 1.02E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12419
BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84125
PNG
(1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H33NO4S/c1-32-24-11-12-28-27(20-24)29(30(36-28)22-17-25(33-2)19-26(18-22)34-3)21-7-9-23(10-8-21)35-16-15-31-13-5-4-6-14-31/h7-12,17-20H,4-6,13-16H2,1-3H3
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n/an/an/an/a 7.51E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12419
BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84126
PNG
(4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H31NO5S/c1-31-23-8-9-27-26(19-23)28(29(36-27)21-16-24(32-2)18-25(17-21)33-3)20-4-6-22(7-5-20)35-15-12-30-10-13-34-14-11-30/h4-9,16-19H,10-15H2,1-3H3
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n/an/an/an/a 3.85E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12419
BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
drug resistance protein 1


(Candida albicans)
BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
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n/an/an/an/a 1.33E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12426
BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
drug resistance protein 1


(Candida albicans)
BDBM84125
PNG
(1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H33NO4S/c1-32-24-11-12-28-27(20-24)29(30(36-28)22-17-25(33-2)19-26(18-22)34-3)21-7-9-23(10-8-21)35-16-15-31-13-5-4-6-14-31/h7-12,17-20H,4-6,13-16H2,1-3H3
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n/an/an/an/a 1.07E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12426
BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
drug resistance protein 1


(Candida albicans)
BDBM84126
PNG
(4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H31NO5S/c1-31-23-8-9-27-26(19-23)28(29(36-27)21-16-24(32-2)18-25(17-21)33-3)20-4-6-22(7-5-20)35-15-12-30-10-13-34-14-11-30/h4-9,16-19H,10-15H2,1-3H3
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n/an/an/an/a 1.13E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12426
BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
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n/an/an/an/a 1.05E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12435
BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84125
PNG
(1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H33NO4S/c1-32-24-11-12-28-27(20-24)29(30(36-28)22-17-25(33-2)19-26(18-22)34-3)21-7-9-23(10-8-21)35-16-15-31-13-5-4-6-14-31/h7-12,17-20H,4-6,13-16H2,1-3H3
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n/an/an/an/a 1.06E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12435
BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84126
PNG
(4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H31NO5S/c1-31-23-8-9-27-26(19-23)28(29(36-27)21-16-24(32-2)18-25(17-21)33-3)20-4-6-22(7-5-20)35-15-12-30-10-13-34-14-11-30/h4-9,16-19H,10-15H2,1-3H3
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n/an/an/an/a 1.37E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12435
BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/an/an/a 5.71E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23F4N63
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
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n/an/an/an/a 5.43E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23F4N63
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)
BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
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n/an/an/an/a 2.01E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZP44PB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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n/an/an/an/a>8.92E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a>3.30E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/an/an/a>8.92E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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n/an/an/an/a>9.25E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a>6.46E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/an/an/a>9.25E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM75439
PNG
(MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
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PCBioAssay
n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154520
PNG
(1M39 (17a))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3
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n/an/a 1.34E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/a 1.13E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154520
PNG
(1M39 (17a))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16O2S/c1-23-17-6-4-5-15(13-17)21-20(14-9-11-16(22)12-10-14)18-7-2-3-8-19(18)24-21/h2-13,22H,1H3
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
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n/an/a 4.70E+3n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM75441
PNG
(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3
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n/an/a 7.60E+3n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154522
PNG
(24F1 (17e))
Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C24H23NO3S/c1-25(2)13-14-28-20-10-5-16(6-11-20)23-21-12-9-19(27)15-22(21)29-24(23)17-3-7-18(26)8-4-17/h3-12,15,26-27H,13-14H2,1-2H3
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n/an/a 1.97E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM75443
PNG
(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
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