BindingDB logo
myBDB logout

PubChem AID 1340

Compile data set for download or QSAR
Found 51 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)		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 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)		BDBM43234
PNG
(2-[(4-chloranylphenoxy)methyl]-5-methoxy-1-benzofu...)
Show SMILES COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
Show InChI InChI=1S/C17H13ClO5/c1-21-12-6-7-14-13(8-12)16(17(19)20)15(23-14)9-22-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(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 1.90E+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/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
PCBioAssay
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)		BDBM46320
PNG
(4-[3-(3,4-Dimethoxy-phenyl)-3-oxo-propenylamino]-N...)
Show SMILES COc1ccc(cc1OC)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1 |w:14.15|
Show InChI InChI=1S/C23H24N4O5S/c1-15-13-16(2)26-23(25-15)27-33(29,30)19-8-6-18(7-9-19)24-12-11-20(28)17-5-10-21(31-3)22(14-17)32-4/h5-10,12-14H,11H2,1-4H3,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 3.12E+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)		BDBM46322
PNG
((4E)-2-methoxy-4-[(5H-[1,2,4]triazino[5,6-b]indol-...)
Show SMILES COc1cc(CN=Nc2nnc3c(n2)[nH]c2ccccc32)ccc1O |w:7.7|
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
PCBioAssay
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)		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 3.54E+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)		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 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 5.90E+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)		BDBM43216
PNG
((5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-etho...)
Show SMILES CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:10|
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 4.02E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2377749
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 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)		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 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		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
PCBioAssay
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)		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 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.82E+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)		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

MCE
PC cid
PC sid
UniChem
PCBioAssay
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)		BDBM46318
PNG
(2-amino-4-methyl-N'-(3,4,5-trimethoxybenzylide...)
Show SMILES COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|
Show InChI InChI=1S/C15H18N4O4S/c1-8-13(24-15(16)18-8)14(20)19-17-7-9-5-10(21-2)12(23-4)11(6-9)22-3/h5-7H,1-4H3,(H2,16,18)(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 1.67E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)		BDBM43259
PNG
(MLS000621545 | N-({[4-({[amino(imino)methyl]amino}...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C16H15N5O5S2/c17-15(18)21-28(23,24)11-4-2-10(3-5-11)19-16(27)20-14(22)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2,(H4,17,18,21)(H2,19,20,22,27)
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+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)		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
PCBioAssay
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)		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

MCE
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/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
PCBioAssay
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)		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

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		BDBM43207
PNG
(2-[(2,6-dichlorobenzyl)amino]-3-methyl-butyric aci...)
Show SMILES CC(C)C(NCc1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C12H15Cl2NO2/c1-7(2)11(12(16)17)15-6-8-9(13)4-3-5-10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.80E+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)		BDBM46316
PNG
(MLS000049286 | N-[4-(4-pyrrolidin-1-ylsulfonylphen...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccco1
Show InChI InChI=1S/C18H17N3O4S2/c22-17(16-4-3-11-25-16)20-18-19-15(12-26-18)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)
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 1.76E+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)		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 7.19E+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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)		BDBM46333
PNG
(5-amino-3-(cyanomethyl)-1-(3-methylphenyl)-4-pyraz...)
Show SMILES Cc1cccc(c1)-n1nc(CC#N)c(C#N)c1N
Show InChI InChI=1S/C13H11N5/c1-9-3-2-4-10(7-9)18-13(16)11(8-15)12(17-18)5-6-14/h2-4,7H,5,16H2,1H3
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 2.84E+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/Q2377749
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 1.60E+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/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

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		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

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		BDBM46321
PNG
((2E)-5-bromo-4-chloro-2-{[(3,5-dimethylphenyl)amin...)
Show SMILES Cc1cc(C)cc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:8.8|
Show InChI InChI=1S/C17H14BrClN2O/c1-9-5-10(2)7-11(6-9)20-8-14-17(22)15-13(21-14)4-3-12(18)16(15)19/h3-8,21-22H,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 3.03E+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)		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 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)		BDBM46324
PNG
(5-Nitro-2H-pyrazole-3-carboxylic acid cyclohexylam...)
Show SMILES [O-][N+](=O)c1cc([nH]n1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C10H14N4O3/c15-10(11-7-4-2-1-3-5-7)8-6-9(13-12-8)14(16)17/h6-7H,1-5H2,(H,11,15)(H,12,13)
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 5.53E+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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)		BDBM46325
PNG
(4-[benzyl(mesyl)amino]-N-[(4-isopropoxybenzylidene...)
Show SMILES CC(C)Oc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:9.9|
Show InChI InChI=1S/C25H27N3O4S/c1-19(2)32-24-15-9-20(10-16-24)17-26-27-25(29)22-11-13-23(14-12-22)28(33(3,30)31)18-21-7-5-4-6-8-21/h4-17,19H,18H2,1-3H3,(H,27,29)
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 5.17E+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)		BDBM46329
PNG
(1,3-dimethyl-2-oxidanylidene-perimidine-6-carbalde...)
Show SMILES Cn1c2cccc3c(C=O)ccc(n(C)c1=O)c23
Show InChI InChI=1S/C14H12N2O2/c1-15-11-5-3-4-10-9(8-17)6-7-12(13(10)11)16(2)14(15)18/h3-8H,1-2H3
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 2.08E+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/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

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		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
PCBioAssay
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)		BDBM43235
PNG
(2-[2-(4-chlorophenyl)ethylamino]benzoic acid | UNM...)
Show SMILES OC(=O)c1ccccc1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.52E+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/Q2377749
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 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		BDBM46315
PNG
(2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfa...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)o1
Show InChI InChI=1S/C15H12N2O3S2/c1-19-11-6-4-10(5-7-11)14-16-17-15(20-14)22-9-12(18)13-3-2-8-21-13/h2-8H,9H2,1H3
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 6.39E+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)		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 9.54E+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)		BDBM46317
PNG
(7-(2-furanylmethylamino)-2,3-dimethyl-4-thieno[1,2...)
Show SMILES Cc1sc2nc3ccc(NCc4ccco4)nn3c(=O)c2c1C
Show InChI InChI=1S/C16H14N4O2S/c1-9-10(2)23-15-14(9)16(21)20-13(18-15)6-5-12(19-20)17-8-11-4-3-7-22-11/h3-7H,8H2,1-2H3,(H,17,19)
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 9.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)		BDBM46323
PNG
(1-[(5-fluoranyl-2-oxidanylidene-indol-3-yl)amino]t...)
Show SMILES NC(=S)NNC1=c2cc(F)ccc2=NC1=O |c:5,13|
Show InChI InChI=1S/C9H7FN4OS/c10-4-1-2-6-5(3-4)7(8(15)12-6)13-14-9(11)16/h1-3H,(H3,11,14,16)(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 3.46E+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)		BDBM46330
PNG
(MLS000335629 | N-[2-(4-chlorophenyl)ethyl]-2-(7-ni...)
Show SMILES [O-][N+](=O)c1ccc2c(OCC(=O)NCCc3ccc(Cl)cc3)ncnc2c1
Show InChI InChI=1S/C18H15ClN4O4/c19-13-3-1-12(2-4-13)7-8-20-17(24)10-27-18-15-6-5-14(23(25)26)9-16(15)21-11-22-18/h1-6,9,11H,7-8,10H2,(H,20,24)
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 5.41E+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)		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 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
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)		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
PCBioAssay
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)		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 2.24E+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)		BDBM46334
PNG
(5-[(2-chloranylphenoxy)methyl]furan-2-carboxylic a...)
Show SMILES OC(=O)c1ccc(COc2ccccc2Cl)o1
Show InChI InChI=1S/C12H9ClO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.63E+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/Q2377749
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 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.92E+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/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 |w:11.11|
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
PCBioAssay
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)		BDBM46327
PNG
((2E)-2-(3-pyridinylmethylidene)-1-benzothiophen-3-...)
Show SMILES O=C1\C(Sc2ccccc12)=C/c1cccnc1
Show InChI InChI=1S/C14H9NOS/c16-14-11-5-1-2-6-12(11)17-13(14)8-10-4-3-7-15-9-10/h1-9H/b13-8+
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 9.31E+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/Q2377749
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)		BDBM46332
PNG
(4-(4-acetylanilino)-2-quinazolinecarboxylic acid e...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(cc2)C(C)=O)c2ccccc2n1
Show InChI InChI=1S/C19H17N3O3/c1-3-25-19(24)18-21-16-7-5-4-6-15(16)17(22-18)20-14-10-8-13(9-11-14)12(2)23/h4-11H,3H2,1-2H3,(H,20,21,22)
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 3.40E+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)		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 2.28E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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

PubChem Bioassay (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
PCBioAssay
n/an/an/an/a 5.44E+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)		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 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 5.13E+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
* indicates data uncertainty>20%