BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 604 hits Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1'   
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)
BDBM41685
PNG
(4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 14n/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/Q2959G0B
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

n/an/an/an/a 20.2n/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/Q2377749
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

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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 27n/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/Q2959G0B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54653
PNG
(4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 30n/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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM41685
PNG
(4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 32n/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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54661
PNG
(4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 63n/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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43221
PNG
(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 80.6n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43221
PNG
(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 80.6n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46331
PNG
(1-[(5-bromanylfuran-2-yl)carbonylamino]-3-[(4-chlo...)
Show SMILES Clc1ccc(CNC(=S)NNC(=O)c2ccc(Br)o2)cc1
Show InChI InChI=1S/C13H11BrClN3O2S/c14-11-6-5-10(20-11)12(19)17-18-13(21)16-7-8-1-3-9(15)4-2-8/h1-6H,7H2,(H,17,19)(H2,16,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 85.7n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 89n/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/Q2959G0B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46328
PNG
(MLS000393082 | N-[3-(1H-benzimidazol-2-yl)-4,5,6,7...)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H30ClN5O3S2/c1-2-33-13-15-34(16-14-33)39(36,37)18-11-12-21(29)20(17-18)27(35)32-28-25(19-7-3-6-10-24(19)38-28)26-30-22-8-4-5-9-23(22)31-26/h4-5,8-9,11-12,17H,2-3,6-7,10,13-16H2,1H3,(H,30,31)(H,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 99.9n/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/Q2377749
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

n/an/an/an/a 103n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 139n/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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43252
PNG
(2-(2-bromobenzyl)oxybenzoic acid | 2-[(2-bromophen...)
Show SMILES OC(=O)c1ccccc1OCc1ccccc1Br
Show InChI InChI=1S/C14H11BrO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8H,9H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 151n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM44154
PNG
((E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]acr...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-9-6-15(7-10-17)19-16(8-11-18(23)24)13-22(21-19)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,24)/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 164n/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/Q2377749
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

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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 257n/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/Q2PK0DK8
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

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)
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

n/an/an/an/a 292n/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/Q2377749
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
n/an/an/an/a 372n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54638
PNG
(4-[3-(2-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br
Show InChI InChI=1S/C22H20BrN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 449n/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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 527n/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/Q2PK0DK8
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
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)
BDBM43256
PNG
(7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(2-m...)
Show SMILES COCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H21N3O3S/c1-27-11-10-24-20(26)17-7-6-15(12-18(17)22-21(24)28)19(25)23-9-8-14-4-2-3-5-16(14)13-23/h2-7,12H,8-11,13H2,1H3,(H,22,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 605n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 623n/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/Q2377749
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

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)
BDBM46322
PNG
((4E)-2-methoxy-4-[(5H-[1,2,4]triazino[5,6-b]indol-...)
Show SMILES COc1cc(CN=Nc2nnc3c(n2)[nH]c2ccccc32)ccc1O
Show InChI InChI=1S/C17H14N6O2/c1-25-14-8-10(6-7-13(14)24)9-18-22-17-20-16-15(21-23-17)11-4-2-3-5-12(11)19-16/h2-8,24H,9H2,1H3,(H,19,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 634n/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/Q2377749
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

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)
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

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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 675n/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/Q2T43RHD
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54594
PNG
(3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 697n/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/Q2B56H55
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

n/an/an/an/a 802n/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/Q2377749
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

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)
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

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)
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
n/an/an/an/a 892n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46335
PNG
(2-[(2-chlorobenzyl)amino]benzoic acid | 2-[(2-chlo...)
Show SMILES OC(=O)c1ccccc1NCc1ccccc1Cl
Show InChI InChI=1S/C14H12ClNO2/c15-12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14(17)18/h1-8,16H,9H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 899n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 912n/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/Q2T43RHD
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46314
PNG
(2-(4-fluoro-N-[2-[(8-methoxy-5H-[1,2,4]triazin[5,6...)
Show SMILES CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc21)c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5O4S/c1-3-32-19(30)11-28(14-6-4-13(23)5-7-14)18(29)12-33-22-25-21-20(26-27-22)16-10-15(31-2)8-9-17(16)24-21/h4-10H,3,11-12H2,1-2H3,(H,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 923n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46326
PNG
(2-(3,4-Dimethyl-phenyl)-4-[(2-methoxy-4-thiocyanat...)
Show SMILES COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C21H20N4O2S/c1-13-5-6-16(9-14(13)2)25-21(26)18(15(3)24-25)11-23-19-8-7-17(28-12-22)10-20(19)27-4/h5-11,24H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 966n/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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM46319
PNG
(3-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C18H12N2O4S3/c21-15(22)7-8-20-17(23)14(27-18(20)25)9-10-5-6-12(24-10)16-19-11-3-1-2-4-13(11)26-16/h1-6,9H,7-8H2,(H,21,22)/b14-9-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 976n/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/Q2377749
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

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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.11E+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/Q2PK0DK8
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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/Q2PK0DK8
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 (2009)


BindingDB Entry DOI: 10.7270/Q2PK0DK8
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 (2009)


BindingDB Entry DOI: 10.7270/Q2PK0DK8
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

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)
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

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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.27E+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/Q2PK0DK8
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.31E+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/Q2PK0DK8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 604 total )  |  Next  |  Last  >>
Jump to: