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Compile Data Set for Download or QSAR

Found 222 hits Enz. Inhib. hit(s) with Target = 'GTP-binding protein (rab7)' AND taxid = 9615   
Target
(Institution)
LigandTarget
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
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
PDB
MMDB

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10n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54642
PNG
(4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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10n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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20n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54605
PNG
(1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2
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30n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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40n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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40n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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40n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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50n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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70n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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90n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54693
PNG
(UNM-0000305812 | cid_23675324 | sodium;(2R)-2-(6-m...)
Show SMILES COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m1/s1
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90n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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130n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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150n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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150n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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160n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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190n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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230n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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270n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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290n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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310n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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430n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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510n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54689
PNG
(2-amino-5-benzoyl-4-(5-bromo-3-pyridinyl)-1-(4-met...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cncc(Br)c1
Show InChI InChI=1S/C24H17BrN4O4S/c1-33-18-7-9-19(10-8-18)34(31,32)29-22(23(30)15-5-3-2-4-6-15)21(20(12-26)24(29)27)16-11-17(25)14-28-13-16/h2-11,13-14H,27H2,1H3
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540n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
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660n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54623
PNG
(1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3
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730n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54676
PNG
((3Z)-3-(5-keto-2-thioxo-imidazolidin-4-ylidene)oxi...)
Show SMILES O=C1NC(=S)N\C1=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H7N3O2S/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,15)(H2,13,14,16,17)/b8-7-
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870n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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940n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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1.47E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50218896
PNG
(7-fluoroindirubin | CHEMBL243986 | cid_11847138)
Show SMILES Fc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C16H9FN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)
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1.56E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
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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2.03E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54691
PNG
(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3
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2.17E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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2.70E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54675
PNG
((5Z)-5-(2-ketoindolin-3-ylidene)hydantoin | (5Z)-5...)
Show SMILES O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H7N3O3/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,15)(H2,13,14,16,17)/b8-7-
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54676
PNG
((3Z)-3-(5-keto-2-thioxo-imidazolidin-4-ylidene)oxi...)
Show SMILES O=C1NC(=S)N\C1=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H7N3O2S/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,15)(H2,13,14,16,17)/b8-7-
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n/an/an/an/a 1.34E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54677
PNG
((3E)-3-(1-ketoindan-2-ylidene)oxindole | (3E)-3-(3...)
Show SMILES O=C1Nc2ccccc2\C1=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H11NO2/c19-16-11-6-2-1-5-10(11)9-13(16)15-12-7-3-4-8-14(12)18-17(15)20/h1-8H,9H2,(H,18,20)/b15-13+
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54678
PNG
((3E)-7-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
Show InChI InChI=1S/C17H10BrNO2/c18-13-7-3-6-11-14(17(21)19-15(11)13)12-8-9-4-1-2-5-10(9)16(12)20/h1-7H,8H2,(H,19,21)/b14-12+
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54679
PNG
((3E)-4-bromanyl-3-(3-oxidanylidene-1H-inden-2-ylid...)
Show SMILES Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12
Show InChI InChI=1S/C17H10BrNO2/c18-12-6-3-7-13-15(12)14(17(21)19-13)11-8-9-4-1-2-5-10(9)16(11)20/h1-7H,8H2,(H,19,21)/b14-11+
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM7392
PNG
(2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-...)
Show SMILES O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50218896
PNG
(7-fluoroindirubin | CHEMBL243986 | cid_11847138)
Show SMILES Fc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C16H9FN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)
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n/an/an/an/a 2.38E+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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50218890
PNG
(7-bromoindirubin | CHEMBL397718 | cid_11845789)
Show SMILES Brc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50218889
PNG
(7-chloroindirubin | CHEMBL243777 | cid_11847137)
Show SMILES Clc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)
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n/an/an/an/a 24n/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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54680
PNG
((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Show SMILES Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
Show InChI InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54681
PNG
(3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone | 3-...)
Show SMILES ONc1c([nH]c2ccccc12)C1=c2ccccc2=NC1=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,19,21H
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54682
PNG
(5-bromanyl-3-[3-(oxidanylamino)-1H-indol-2-yl]indo...)
Show SMILES ONc1c([nH]c2ccccc12)C1=c2cc(Br)ccc2=NC1=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,20,22H
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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)

More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54683
PNG
(7-fluoranyl-3-[3-(oxidanylamino)-1H-indol-2-yl]ind...)
Show SMILES ONc1c([nH]c2ccccc12)C1=c2cccc(F)c2=NC1=O
Show InChI InChI=1S/C16H10FN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,20,22H
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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)

More data for this
Ligand-Target Pair
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