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PubChem AID 2037

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54553
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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 80n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54570
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3
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 100n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54548
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-3-7-19(8-4-17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3
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 120n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54578
PNG
(1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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 140n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54547
PNG
(1-[4-(2-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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 170n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54565
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES Cc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O2/c1-17-5-4-6-20(15-17)24-25-22(30-26-24)9-10-23(29)28-13-11-27(12-14-28)21-16-18(2)7-8-19(21)3/h4-8,15-16H,9-14H2,1-3H3
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 220n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54576
PNG
(1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-5-4-6-21(18(17)2)27-13-15-28(16-14-27)23(29)12-11-22-25-24(26-31-22)19-7-9-20(30-3)10-8-19/h4-10H,11-16H2,1-3H3
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 240n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54580
PNG
(3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...)
Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3
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 250n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54584
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperidinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H29N3O3/c1-17-4-5-18(2)22(16-17)19-12-14-28(15-13-19)24(29)11-10-23-26-25(27-31-23)20-6-8-21(30-3)9-7-20/h4-9,16,19H,10-15H2,1-3H3
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 300n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54550
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES COc1ccccc1-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-8-9-18(2)20(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-4-5-7-21(19)30-3/h4-9,16H,10-15H2,1-3H3
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 330n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54551
PNG
(3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H25BrN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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 340n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54562
PNG
(3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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 360n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54569
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-5-3-4-6-20(17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-7-9-19(29-2)10-8-18/h3-10H,11-16H2,1-2H3
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 360n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM48386
PNG
(1-{3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-7-5-16(6-8-19)22-27-20(33-28-22)9-10-21(31)30-13-11-29(12-14-30)18-4-2-3-17(15-18)23(24,25)26/h2-8,15H,9-14H2,1H3
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 410n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54561
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-17-8-6-16(7-9-17)22-27-20(33-28-22)10-11-21(31)30-14-12-29(13-15-30)19-5-3-2-4-18(19)23(24,25)26/h2-9H,10-15H2,1H3
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 420n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54556
PNG
(3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Br)c1
Show InChI InChI=1S/C23H25BrN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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 450n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54564
PNG
(3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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 460n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54582
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...)
Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3
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 480n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54559
PNG
(1-[4-(2-bromophenyl)-1-piperazinyl]-3-[3-(4-methox...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Br)n1
Show InChI InChI=1S/C22H23BrN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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 490n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54575
PNG
(3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
Show InChI InChI=1S/C23H25BrN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3
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 490n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54542
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
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 580n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54545
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-7-8-18(2)21(15-17)27-11-13-28(14-12-27)23(29)10-9-22-25-24(26-31-22)19-5-4-6-20(16-19)30-3/h4-8,15-16H,9-14H2,1-3H3
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 590n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54552
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-16-3-4-17(2)20(15-16)30-11-13-31(14-12-30)22(32)10-9-21-28-23(29-33-21)18-5-7-19(8-6-18)24(25,26)27/h3-8,15H,9-14H2,1-2H3
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 680n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54581
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1cccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C28H32N2O2/c1-21-7-8-22(2)27(19-21)29-15-17-30(18-16-29)28(31)14-9-23-5-4-6-25(20-23)24-10-12-26(32-3)13-11-24/h4-8,10-13,19-20H,9,14-18H2,1-3H3
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 780n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54549
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(3-phen...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
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 850n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54563
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES Cc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O2/c1-17-5-8-20(9-6-17)24-25-22(30-26-24)10-11-23(29)28-14-12-27(13-15-28)21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3
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 920n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54568
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[2-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-16-7-8-17(2)20(15-16)30-11-13-31(14-12-30)22(32)10-9-21-28-23(29-33-21)18-5-3-4-6-19(18)24(25,26)27/h3-8,15H,9-14H2,1-2H3
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 1.05E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54546
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H30N4O3/c1-18-7-8-19(2)22(17-18)28-13-15-29(16-14-28)24(30)6-4-5-23-26-25(27-32-23)20-9-11-21(31-3)12-10-20/h7-12,17H,4-6,13-16H2,1-3H3
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 1.31E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54543
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(OC)c2)n1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-8-6-17(7-9-19)23-24-21(31-25-23)10-11-22(28)27-14-12-26(13-15-27)18-4-3-5-20(16-18)30-2/h3-9,16H,10-15H2,1-2H3
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 2.55E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HT2MQ5
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54544
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1
Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54549
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(3-phen...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54551
PNG
(3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H25BrN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 1.62E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54560
PNG
(1-[4-(3-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(F)c2)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-19-7-5-16(6-8-19)22-24-20(30-25-22)9-10-21(28)27-13-11-26(12-14-27)18-4-2-3-17(23)15-18/h2-8,15H,9-14H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54564
PNG
(3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 2.18E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54708
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-8-2-16(3-9-19)22-27-20(33-28-22)10-11-21(31)30-14-12-29(13-15-30)18-6-4-17(5-7-18)23(24,25)26/h2-9H,10-15H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54545
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-7-8-18(2)21(15-17)27-11-13-28(14-12-27)23(29)10-9-22-25-24(26-31-22)19-5-4-6-20(16-19)30-3/h4-8,15-16H,9-14H2,1-3H3
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n/an/an/an/a 2.77E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54553
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 360n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54565
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-m...)
Show SMILES Cc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O2/c1-17-5-4-6-20(15-17)24-25-22(30-26-24)9-10-23(29)28-13-11-27(12-14-28)21-16-18(2)7-8-19(21)3/h4-8,15-16H,9-14H2,1-3H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54567
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[3-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-16-6-7-17(2)20(14-16)30-10-12-31(13-11-30)22(32)9-8-21-28-23(29-33-21)18-4-3-5-19(15-18)24(25,26)27/h3-7,14-15H,8-13H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54572
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C26H32N4O3/c1-19-8-9-20(2)23(18-19)29-14-16-30(17-15-29)25(31)7-5-4-6-24-27-26(28-33-24)21-10-12-22(32-3)13-11-21/h8-13,18H,4-7,14-17H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54576
PNG
(1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-5-4-6-21(18(17)2)27-13-15-28(16-14-27)23(29)12-11-22-25-24(26-31-22)19-7-9-20(30-3)10-8-19/h4-10H,11-16H2,1-3H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54577
PNG
(1-[4-(4-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54582
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...)
Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3
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n/an/an/an/a 2.28E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54543
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(OC)c2)n1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-8-6-17(7-9-19)23-24-21(31-25-23)10-11-22(28)27-14-12-26(13-15-27)18-4-3-5-20(16-18)30-2/h3-9,16H,10-15H2,1-2H3
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n/an/an/an/a 1.21E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54563
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES Cc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O2/c1-17-5-8-20(9-6-17)24-25-22(30-26-24)10-11-23(29)28-14-12-27(13-15-28)21-16-18(2)4-7-19(21)3/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 4.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54566
PNG
(1-[4-(3-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-19-7-5-16(6-8-19)22-24-20(30-25-22)9-10-21(28)27-13-11-26(12-14-27)18-4-2-3-17(23)15-18/h2-8,15H,9-14H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54571
PNG
(1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54561
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-17-8-6-16(7-9-17)22-27-20(33-28-22)10-11-21(31)30-14-12-29(13-15-30)19-5-3-2-4-18(19)23(24,25)26/h2-9H,10-15H2,1H3
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n/an/an/an/a 1.98E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54709
PNG
(1-[4-(4-bromophenyl)-1-piperazinyl]-3-[3-(4-methox...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Br)cc2)n1
Show InChI InChI=1S/C22H23BrN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54710
PNG
(1-[4-(3-bromophenyl)-1-piperazinyl]-3-[3-(4-methox...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Br)c2)n1
Show InChI InChI=1S/C22H23BrN4O3/c1-29-19-7-5-16(6-8-19)22-24-20(30-25-22)9-10-21(28)27-13-11-26(12-14-27)18-4-2-3-17(23)15-18/h2-8,15H,9-14H2,1H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54584
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperidinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H29N3O3/c1-17-4-5-18(2)22(16-17)19-12-14-28(15-13-19)24(29)11-10-23-26-25(27-31-23)20-6-8-21(30-3)9-7-20/h4-9,16,19H,10-15H2,1-3H3
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n/an/an/an/a 1.42E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54546
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H30N4O3/c1-18-7-8-19(2)22(17-18)28-13-15-29(16-14-28)24(30)6-4-5-23-26-25(27-32-23)20-9-11-21(31-3)12-10-20/h7-12,17H,4-6,13-16H2,1-3H3
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n/an/an/an/a 6.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54547
PNG
(1-[4-(2-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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n/an/an/an/a 805n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54548
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-3-7-19(8-4-17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3
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n/an/an/an/a 566n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54559
PNG
(1-[4-(2-bromophenyl)-1-piperazinyl]-3-[3-(4-methox...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Br)n1
Show InChI InChI=1S/C22H23BrN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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n/an/an/an/a 2.31E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54569
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-5-3-4-6-20(17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-7-9-19(29-2)10-8-18/h3-10H,11-16H2,1-2H3
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n/an/an/an/a 1.71E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54575
PNG
(3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
Show InChI InChI=1S/C23H25BrN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 2.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54580
PNG
(3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...)
Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3
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n/an/an/an/a 1.19E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54712
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)o1
Show InChI InChI=1S/C26H30N2O3/c1-19-4-5-20(2)24(18-19)27-14-16-28(17-15-27)26(29)13-11-23-10-12-25(31-23)21-6-8-22(30-3)9-7-21/h4-10,12,18H,11,13-17H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54542
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 2.74E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54550
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES COc1ccccc1-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C24H28N4O3/c1-17-8-9-18(2)20(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-4-5-7-21(19)30-3/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 1.55E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54556
PNG
(3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Br)c1
Show InChI InChI=1S/C23H25BrN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 2.14E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54573
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C23H26N4O4/c1-29-18-9-7-17(8-10-18)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)19-5-3-4-6-20(19)30-2/h3-10H,11-16H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM48386
PNG
(1-{3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-7-5-16(6-8-19)22-27-20(33-28-22)9-10-21(31)30-13-11-29(12-14-30)18-4-2-3-17(15-18)23(24,25)26/h2-8,15H,9-14H2,1H3
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n/an/an/an/a 1.92E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54579
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-4-3-5-19(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-30-21)18-6-8-20(29-2)9-7-18/h3-9,16H,10-15H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54711
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1
Show InChI InChI=1S/C25H30N4O2/c1-18-4-5-19(2)24(16-18)28-12-14-29(15-13-28)25(30)11-8-21-17-23(27-26-21)20-6-9-22(31-3)10-7-20/h4-7,9-10,16-17H,8,11-15H2,1-3H3,(H,26,27)
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54713
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1
Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54552
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-16-3-4-17(2)20(15-16)30-11-13-31(14-12-30)22(32)10-9-21-28-23(29-33-21)18-5-7-19(8-6-18)24(25,26)27/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 3.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54554
PNG
(3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Cl
Show InChI InChI=1S/C23H25ClN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54558
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54562
PNG
(3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 1.72E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54581
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1cccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C28H32N2O2/c1-21-7-8-22(2)27(19-21)29-15-17-30(18-16-29)28(31)14-9-23-5-4-6-25(20-23)24-10-12-26(32-3)13-11-24/h4-8,10-13,19-20H,9,14-18H2,1-3H3
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n/an/an/an/a 3.67E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54583
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)on1
Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)24(16-18)27-12-14-28(15-13-27)25(29)11-10-22-17-23(26-31-22)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54585
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)s1
Show InChI InChI=1S/C26H30N2O2S/c1-19-4-5-20(2)24(18-19)27-14-16-28(17-15-27)26(29)13-11-23-10-12-25(31-23)21-6-8-22(30-3)9-7-21/h4-10,12,18H,11,13-17H2,1-3H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54568
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[2-(...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O2/c1-16-7-8-17(2)20(15-16)30-11-13-31(14-12-30)22(32)10-9-21-28-23(29-33-21)18-5-3-4-6-19(18)24(25,26)27/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 4.96E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54570
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3
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n/an/an/an/a 450n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54574
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1F
Show InChI InChI=1S/C23H25FN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3
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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: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM54578
PNG
(1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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n/an/an/an/a 655n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%