BindingDB logo
myBDB logout

PubChem AID 1339

Compile data set for download or QSAR
Found 56 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
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43254
PNG
((1Z)-1-[(benzylamino)methylene]-3-nitro-6,7,8,9-te...)
Show SMILES [O-][N+](=O)c1cc2oc3CCCCc3c2[c-](\C=[NH+]\Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H17N2O4/c23-20-15(12-21-11-13-6-2-1-3-7-13)19-14-8-4-5-9-17(14)26-18(19)10-16(20)22(24)25/h1-3,6-7,10,12H,4-5,8-9,11H2/q-1/p+1/b21-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.79E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43287
PNG
(4,4-dimethyl-1-(4-nitrophenyl)-2-pentyn-1-one | 4,...)
Show SMILES CC(C)(C)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H13NO3/c1-13(2,3)9-8-12(15)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.51E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43268
PNG
(1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2...)
Show SMILES O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H24N4O3S2/c31-23(30-10-8-29(9-11-30)13-18-6-7-21-22(12-18)33-17-32-21)15-35-26-24-20(19-4-2-1-3-5-19)14-34-25(24)27-16-28-26/h1-7,12,14,16H,8-11,13,15,17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.11E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43231
PNG
((E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c20-16(21)9-8-14-12-19(11-13-5-2-1-3-6-13)18-17(14)15-7-4-10-22-15/h1-10,12H,11H2,(H,20,21)/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.94E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43276
PNG
(2-[2-[2-(2-isopropyl-5-methyl-phenoxy)ethylthio]be...)
Show SMILES CC(C)c1ccc(C)cc1OCCSc1nc2ccccc2n1CC(O)=O
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)16-9-8-15(3)12-19(16)26-10-11-27-21-22-17-6-4-5-7-18(17)23(21)13-20(24)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.35E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43280
PNG
(2-[2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfany...)
Show SMILES Cc1cc(OCCSc2nc3ccccc3n2CC(O)=O)ccc1Cl
Show InChI InChI=1S/C18H17ClN2O3S/c1-12-10-13(6-7-14(12)19)24-8-9-25-18-20-15-4-2-3-5-16(15)21(18)11-17(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.51E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43282
PNG
(5-[(5-chloro-2-methoxy-anilino)methyl]-4-methyl-2-...)
Show SMILES COc1ccc(Cl)cc1NCc1sc(cc1C)C(O)=O
Show InChI InChI=1S/C14H14ClNO3S/c1-8-5-12(14(17)18)20-13(8)7-16-10-6-9(15)3-4-11(10)19-2/h3-6,16H,7H2,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.19E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43283
PNG
(4-methyl-5-(o-anisidinomethyl)-2-thenoic acid | 5-...)
Show SMILES COc1ccccc1NCc1sc(cc1C)C(O)=O
Show InChI InChI=1S/C14H15NO3S/c1-9-7-12(14(16)17)19-13(9)8-15-10-5-3-4-6-11(10)18-2/h3-7,15H,8H2,1-2H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.26E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43262
PNG
(1-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2,4...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C
Show InChI InChI=1S/C18H20N2O2/c1-11-16(13(3)21)12(2)19-17(11)18(22)20-9-8-14-6-4-5-7-15(14)10-20/h4-7,19H,8-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.53E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43263
PNG
(1-(4-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.48E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43210
PNG
(1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.35E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43267
PNG
(3,5-Dihydroxy-benzoic acid (4-methylsulfanyl-benzy...)
Show SMILES CSc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C15H14N2O3S/c1-21-14-4-2-10(3-5-14)9-16-17-15(20)11-6-12(18)8-13(19)7-11/h2-9,18-19H,1H3,(H,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.54E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43232
PNG
(3-[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H19F2N3O5/c1-13-11-19(14(2)29(13)15-7-9-16(10-8-15)34-24(25)26)20(30)12-28-22(31)18-6-4-3-5-17(18)21(27-28)23(32)33/h3-11,24H,12H2,1-2H3,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.55E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43246
PNG
(2-(2,5-dimethyl-3-furoyl)oxybenzoic acid | 2-(2,5-...)
Show SMILES Cc1cc(C(=O)Oc2ccccc2C(O)=O)c(C)o1
Show InChI InChI=1S/C14H12O5/c1-8-7-11(9(2)18-8)14(17)19-12-6-4-3-5-10(12)13(15)16/h3-7H,1-2H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 665n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43271
PNG
(2-hydroxy-3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(O)cc(oc1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H16O6/c1-24-14-7-3-12(4-8-14)17-11-16(21)18(20(23)26-17)19(22)13-5-9-15(25-2)10-6-13/h3-11,21H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.57E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43273
PNG
(MLS000707180 | SMR000334562 | [5-(4-chlorophenyl)s...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)N1CCOCC1
Show InChI InChI=1S/C13H12ClN3O4S2/c14-9-1-3-10(4-2-9)23(19,20)13-11(15-16-22-13)12(18)17-5-7-21-8-6-17/h1-4H,5-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.37E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43233
PNG
(1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic a...)
Show SMILES Cc1nn(Cc2ccccc2)c(Cl)c1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2/c1-8-10(12(16)17)11(13)15(14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.17E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43240
PNG
(3-(4-fluorophenyl)-1-(4-nitrophenyl)-2-propyn-1-on...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C15H8FNO3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(9-5-12)17(19)20/h1-2,4-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.92E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43241
PNG
(1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxyli...)
Show SMILES Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1
Show InChI InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 222n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43208
PNG
(4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1...)
Show SMILES O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.02E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43218
PNG
((E)-3-(2,4-dichlorophenyl)-2-propenoic acid [2-(3-...)
Show SMILES COc1cccc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C18H15Cl2NO4/c1-24-15-4-2-3-14(10-15)21-17(22)11-25-18(23)8-6-12-5-7-13(19)9-16(12)20/h2-10H,11H2,1H3,(H,21,22)/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.33E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43229
PNG
(4-mesyl-3-nitro-benzoic acid [2-(cyclohexanecarbon...)
Show SMILES CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(=O)C1CCCCC1
Show InChI InChI=1S/C17H20N2O8S/c1-28(25,26)14-8-7-12(9-13(14)19(23)24)17(22)27-10-15(20)18-16(21)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.32E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43230
PNG
(2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyri...)
Show SMILES OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
Show InChI InChI=1S/C16H12N2O2S2/c19-16(20)10-4-1-2-6-12(10)22-15-13-9-5-3-7-11(9)21-14(13)17-8-18-15/h1-2,4,6,8H,3,5,7H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.08E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43278
PNG
(1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]indole-3-...)
Show SMILES CC(C)c1ccc(C)cc1OCCn1cc(C(O)=O)c2ccccc12
Show InChI InChI=1S/C21H23NO3/c1-14(2)16-9-8-15(3)12-20(16)25-11-10-22-13-18(21(23)24)17-6-4-5-7-19(17)22/h4-9,12-14H,10-11H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 635n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43281
PNG
(2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimi...)
Show SMILES Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(O)=O)c1
Show InChI InChI=1S/C19H20N2O3S/c1-13-9-14(2)11-15(10-13)24-7-8-25-19-20-16-5-3-4-6-17(16)21(19)12-18(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.36E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43236
PNG
(2-(4-chlorophenyl)sulfanylquinoline-4-carboxylic a...)
Show SMILES OC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C16H10ClNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.94E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43239
PNG
(3-(4-acetylphenyl)-1-(4-nitrophenyl)-2-propyn-1-on...)
Show SMILES CC(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11NO4/c1-12(19)14-5-2-13(3-6-14)4-11-17(20)15-7-9-16(10-8-15)18(21)22/h2-3,5-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.22E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43288
PNG
(N-[3-[3-(4-nitrophenyl)-3-oxidanylidene-prop-1-yny...)
Show SMILES CC(=O)Nc1cccc(c1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c1-12(20)18-15-4-2-3-13(11-15)5-10-17(21)14-6-8-16(9-7-14)19(22)23/h2-4,6-9,11H,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.42E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43290
PNG
(2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-indolecarb...)
Show SMILES Cc1c(C(O)=O)c2ccccc2n1CCOc1ccccc1C
Show InChI InChI=1S/C19H19NO3/c1-13-7-3-6-10-17(13)23-12-11-20-14(2)18(19(21)22)15-8-4-5-9-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 625n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43261
PNG
(3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-[2...)
Show SMILES CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-27-23(29)19-10-6-5-9-18(19)22(25-27)24(30)31-14-21(28)20-12-15(2)26(16(20)3)13-17-8-7-11-32-17/h5-12H,4,13-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.56E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM42384
PNG
(2-(2-phenylethylsulfanyl)pyridine-3-carboxylic aci...)
Show SMILES OC(=O)c1cccnc1SCCc1ccccc1
Show InChI InChI=1S/C14H13NO2S/c16-14(17)12-7-4-9-15-13(12)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 25.4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43247
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
Show InChI InChI=1S/C17H13N5O3S/c1-10-7-13(22-25-10)19-14(23)9-26-17-20-15(11-5-3-2-4-6-11)12(8-18)16(24)21-17/h2-7H,9H2,1H3,(H,19,22,23)(H,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.29E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43264
PNG
(2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]...)
Show SMILES CCOC(=O)c1c(CC)c(C)sc1NC(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C20H21NO5S/c1-4-14-12(3)27-19(18(14)20(23)24-5-2)21-17(22)9-7-13-6-8-15-16(10-13)26-11-25-15/h6-10H,4-5,11H2,1-3H3,(H,21,22)/b9-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.01E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43213
PNG
(3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-N-(4-ethylph...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)cc1
Show InChI InChI=1S/C26H23N3O4S/c1-2-17-7-9-19(10-8-17)28-34(32,33)20-11-12-23-21(15-20)25(30)22(16-27-23)26(31)29-14-13-18-5-3-4-6-24(18)29/h3-12,15-16,28H,2,13-14H2,1H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.06E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43270
PNG
(MLS000591720 | N-(12-Cyano-indolizino[2,3-b]quinox...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Show InChI InChI=1S/C23H15N5O/c1-14-6-2-3-7-16(14)23(29)25-15-10-11-20-17(12-24)21-22(28(20)13-15)27-19-9-5-4-8-18(19)26-21/h2-11,13H,1H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 889n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43225
PNG
(4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-...)
Show SMILES Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H24O3S/c1-14-5-11-17(12-6-14)25-19(20(23)24)13-18(22)15-7-9-16(10-8-15)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.23E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43274
PNG
(2-[2-[2-(4-propoxyphenoxy)ethylsulfanyl]benzimidaz...)
Show SMILES CCCOc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
Show InChI InChI=1S/C20H22N2O4S/c1-2-11-25-15-7-9-16(10-8-15)26-12-13-27-20-21-17-5-3-4-6-18(17)22(20)14-19(23)24/h3-10H,2,11-14H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.56E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43277
PNG
(1-(2-phenoxyethyl)-3-indolecarboxylic acid | 1-(2-...)
Show SMILES OC(=O)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H15NO3/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)10-11-21-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 857n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43284
PNG
(2-(3,4-dimethylanilino)-4-quinolinecarboxylic acid...)
Show SMILES Cc1ccc(Nc2cc(C(O)=O)c3ccccc3n2)cc1C
Show InChI InChI=1S/C18H16N2O2/c1-11-7-8-13(9-12(11)2)19-17-10-15(18(21)22)14-5-3-4-6-16(14)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.56E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43285
PNG
(2-[(2,6-dichlorobenzyl)amino]benzoic acid | 2-[(2,...)
Show SMILES OC(=O)c1ccccc1NCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-11-5-3-6-12(16)10(11)8-17-13-7-2-1-4-9(13)14(18)19/h1-7,17H,8H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.41E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43289
PNG
(6-chloranyl-1-[2-(2-methoxyphenoxy)ethyl]indole-3-...)
Show SMILES COc1ccccc1OCCn1cc(C(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H16ClNO4/c1-23-16-4-2-3-5-17(16)24-9-8-20-11-14(18(21)22)13-7-6-12(19)10-15(13)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.75E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43260
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybe...)
Show SMILES COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(=O)Nc1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C23H20F2N2O8/c1-12-16(13(2)35-27-12)10-31-17-6-4-14(8-19(17)30-3)22(29)32-11-21(28)26-15-5-7-18-20(9-15)34-23(24,25)33-18/h4-9H,10-11H2,1-3H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.42E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43227
PNG
(1-[2-(4-chlorophenyl)ethylamino]-3-(2-naphthalenyl...)
Show SMILES OC(CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1
Show InChI InChI=1S/C21H22ClNO2/c22-19-8-5-16(6-9-19)11-12-23-14-20(24)15-25-21-10-7-17-3-1-2-4-18(17)13-21/h1-10,13,20,23-24H,11-12,14-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.90E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43286
PNG
(2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic a...)
Show SMILES OC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.68E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43265
PNG
(9-(2,5-dimethoxyphenyl)-2,6,7-trihydroxy-3-xanthen...)
Show SMILES COc1ccc(OC)c(c1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C21H16O7/c1-26-10-3-4-18(27-2)11(5-10)21-12-6-14(22)16(24)8-19(12)28-20-9-17(25)15(23)7-13(20)21/h3-9,22-24H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 280n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43269
PNG
(1-[(2-ketoindol-3-yl)amino]-3-methyl-thiourea | 1-...)
Show SMILES CNC(=S)NNC1=c2ccccc2=NC1=O
Show InChI InChI=1S/C10H10N4OS/c1-11-10(16)14-13-8-6-4-2-3-5-7(6)12-9(8)15/h2-5H,1H3,(H2,11,14,16)(H,12,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.16E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43237
PNG
(2-(2-phenylethylthio)-3-pyridinecarboxylic acid me...)
Show SMILES COC(=O)c1cccnc1SCCc1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-18-15(17)13-8-5-10-16-14(13)19-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.66E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43266
PNG
(7-(diethylamino)-3-[4-(4-methoxyphenyl)-1,3-thiazo...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc(cs3)-c3ccc(OC)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H22N2O3S/c1-4-25(5-2)17-9-6-16-12-19(23(26)28-21(16)13-17)22-24-20(14-29-22)15-7-10-18(27-3)11-8-15/h6-14H,4-5H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 554n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43214
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C19H14N4O2S/c20-11-15-17(13-7-3-1-4-8-13)22-19(23-18(15)25)26-12-16(24)21-14-9-5-2-6-10-14/h1-10H,12H2,(H,21,24)(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.95E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM42069
PNG
(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.15E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43272
PNG
(4-chloranyl-2-[(4-methoxyphenyl)carbonylamino]benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C15H12ClNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.21E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43222
PNG
(4-(2-bromanyl-4-methyl-phenyl)-3-pyrazin-2-yl-1H-1...)
Show SMILES Cc1ccc(c(Br)c1)-n1c(n[nH]c1=S)-c1cnccn1
Show InChI InChI=1S/C13H10BrN5S/c1-8-2-3-11(9(14)6-8)19-12(17-18-13(19)20)10-7-15-4-5-16-10/h2-7H,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.80E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43223
PNG
(2-(2,3,5,6-tetramethylbenzoyl)benzoic acid | 2-(2,...)
Show SMILES Cc1cc(C)c(C)c(C(=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C18H18O3/c1-10-9-11(2)13(4)16(12(10)3)17(19)14-7-5-6-8-15(14)18(20)21/h5-9H,1-4H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.52E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43275
PNG
(3-[(2-methoxyphenoxy)methyl]benzoic acid | UNM0000...)
Show SMILES COc1ccccc1OCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C15H14O4/c1-18-13-7-2-3-8-14(13)19-10-11-5-4-6-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.53E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43279
PNG
(5-[(m-anisylamino)methyl]-4-methyl-2-thenoic acid ...)
Show SMILES COc1cccc(CNCc2sc(cc2C)C(O)=O)c1
Show InChI InChI=1S/C15H17NO3S/c1-10-6-13(15(17)18)20-14(10)9-16-8-11-4-3-5-12(7-11)19-2/h3-7,16H,8-9H2,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43216
PNG
((5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-etho...)
Show SMILES CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-2-25-18-9-7-15(8-10-18)13-19-20(24)22-21(26-19)23-12-11-16-5-3-4-6-17(16)14-23/h3-10,13H,2,11-12,14H2,1H3/b19-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.06E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30S2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%