BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 526 hits Enz. Inhib. hit(s) with Target = 'glutathione S-transferase'   
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
glutathione S-transferase


(Homo sapiens)
BDBM47576
PNG
((5Z)-3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(o2)N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H28N4O4S/c1-35-22-8-6-21(7-9-22)31-29-33(13-12-20-19-30-25-5-3-2-4-24(20)25)28(34)26(38-29)18-23-10-11-27(37-23)32-14-16-36-17-15-32/h2-11,18-19,30H,12-17H2,1H3/b26-18-,31-29-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 26.9n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47574
PNG
((5Z)-3-[2-(1H-indol-3-yl)ethyl]-5-[(5-morpholin-4-...)
Show SMILES O=C1N(CCc2c[nH]c3ccccc23)\C(S\C1=C/c1ccc(o1)N1CCOCC1)=N\c1ccccc1
Show InChI InChI=1S/C28H26N4O3S/c33-27-25(18-22-10-11-26(35-22)31-14-16-34-17-15-31)36-28(30-21-6-2-1-3-7-21)32(27)13-12-20-19-29-24-9-5-4-8-23(20)24/h1-11,18-19,29H,12-17H2/b25-18-,30-28-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 69.7n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47564
PNG
((E)-2-(4-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidi...)
Show SMILES COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O2/c1-25-20-13-19(24-9-3-4-10-24)21(26-2)12-16(20)11-17(14-23)15-5-7-18(22)8-6-15/h5-8,11-13H,3-4,9-10H2,1-2H3/b17-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 74.5n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47572
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES COCCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
Show InChI InChI=1S/C26H31N3O4S/c1-31-15-9-14-29-25(30)24(34-26(29)27-20-10-5-4-6-11-20)17-19-16-23(33-3)21(18-22(19)32-2)28-12-7-8-13-28/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3/b24-17-,27-26+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 110n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47639
PNG
(MLS000728818 | N-{4-[(3-methyl-2,7-dioxo-2,7-dihyd...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc3n(C)c(=O)cc4-c5ccccc5C(=O)c2c34)cc1
Show InChI InChI=1S/C25H19N3O3/c1-14(29)26-15-7-9-16(10-8-15)27-20-11-12-21-23-19(13-22(30)28(21)2)17-5-3-4-6-18(17)25(31)24(20)23/h3-13,27H,1-2H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47592
PNG
(1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(3-fluoroph...)
Show SMILES Fc1cccc(c1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
Show InChI InChI=1S/C22H18FN5OS/c23-17-8-3-6-16(13-17)22-25-24-19-10-11-20(26-28(19)22)30-14-21(29)27-12-4-7-15-5-1-2-9-18(15)27/h1-3,5-6,8-11,13H,4,7,12,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 160n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47647
PNG
(5-bromo-2-furaldehyde (1,1-dioxido-1,2-benzisothia...)
Show SMILES CN(N=Cc1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C13H10BrN3O3S/c1-17(15-8-9-6-7-12(14)20-9)13-10-4-2-3-5-11(10)21(18,19)16-13/h2-8H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 184n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM44483
PNG
((5Z)-3-butan-2-yl-5-[[9-methyl-4-oxidanylidene-2-(...)
Show SMILES CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C23H30N4O3S2/c1-6-16(5)27-22(29)18(32-23(27)31)13-17-19(24-10-8-12-30-14(2)3)25-20-15(4)9-7-11-26(20)21(17)28/h7,9,11,13-14,16,24H,6,8,10,12H2,1-5H3/b18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 202n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 210n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 220n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47632
PNG
((2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-benzo[e][1,3]benz...)
Show SMILES CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
Show InChI InChI=1S/C29H25N2O2/c1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27/h5-19H,3-4H2,1-2H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 223n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47676
PNG
((4E)-4-[[4-[ethyl(isopropyl)amino]anilino]methylen...)
Show SMILES CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C29H31N3O3/c1-5-31(20(2)3)23-14-12-22(13-15-23)30-18-27-25-8-6-7-9-26(25)28(33)32(29(27)34)19-21-10-16-24(35-4)17-11-21/h6-18,20,30H,5,19H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 249n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34751
PNG
(2,6,7-trihydroxy-9-(2,4,5-trimethoxyphenyl)-3-xant...)
Show SMILES COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C22H18O8/c1-27-17-9-21(29-3)20(28-2)6-12(17)22-10-4-13(23)15(25)7-18(10)30-19-8-16(26)14(24)5-11(19)22/h4-9,23-25H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 258n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 265n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47664
PNG
(6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 334n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47645
PNG
((2E)-1-phenyl-3-[4-(3-phenyl-4,5-dihydro-1H-pyrazo...)
Show SMILES O=C(C=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2O/c27-24(21-9-5-2-6-10-21)16-13-19-11-14-22(15-12-19)26-18-17-23(25-26)20-7-3-1-4-8-20/h1-16H,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 340n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47624
PNG
(9-(4-methylphenyl)-5-{[3-(4-morpholinyl)propyl]ami...)
Show SMILES Cc1ccc(cc1)-c1csc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c12
Show InChI InChI=1S/C27H27N5O2S/c1-18-7-9-19(10-8-18)22-17-35-26-23(22)27(33)32-25(29-26)21-6-3-2-5-20(21)24(30-32)28-11-4-12-31-13-15-34-16-14-31/h2-3,5-10,17H,4,11-16H2,1H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 346n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47675
PNG
(5-(3-pyridinylmethylamino)-8-quinazolino[2,3-a]pht...)
Show SMILES O=c1c2ccccc2nc2c3ccccc3c(NCc3cccnc3)nn12
Show InChI InChI=1S/C21H15N5O/c27-21-17-9-3-4-10-18(17)24-20-16-8-2-1-7-15(16)19(25-26(20)21)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 348n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47555
PNG
(3-[(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-...)
Show SMILES Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C21H15N5O3S2/c22-20-19(31(28,29)17-9-4-10-30-17)18-21(25-16-8-2-1-7-15(16)24-18)26(20)23-12-13-5-3-6-14(27)11-13/h1-12,27H,22H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 355n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47643
PNG
(4-(1H-imidazol-5-yl)-2,6-dinitro-aniline | 4-(1H-i...)
Show SMILES Nc1c(cc(cc1[N+]([O-])=O)-c1c[nH]cn1)[N+]([O-])=O
Show InChI InChI=1S/C9H7N5O4/c10-9-7(13(15)16)1-5(2-8(9)14(17)18)6-3-11-4-12-6/h1-4H,10H2,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 391n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 400n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47629
PNG
(MLS000711688 | N'-[2,5-dimethoxy-4-(2-thenoylamino...)
Show SMILES COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C26H24N4O5S/c1-34-21-15-20(30-26(33)23-6-4-12-36-23)22(35-2)14-19(21)29-25(32)10-9-24(31)28-17-7-8-18-16(13-17)5-3-11-27-18/h3-8,11-15H,9-10H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 481n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 499n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47660
PNG
(5-[(3-chlorobenzoyl)amino]-2-[(E)-2-(3,5-dimethyla...)
Show SMILES COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1CC=Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C24H21ClN2O5/c1-14-9-15(2)11-18(10-14)26-8-7-21-19(23(29)31-3)13-20(24(30)32-21)27-22(28)16-5-4-6-17(25)12-16/h4-6,8-13H,7H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 567n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47619
PNG
(3-amino-2-(4-bromobenzoyl)-6-keto-7H-thieno[2,3-b]...)
Show SMILES CCOC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)11-7-10-12(19)14(25-16(10)20-15(11)22)13(21)8-3-5-9(18)6-4-8/h3-7H,2,19H2,1H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 574n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47630
PNG
((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...)
Show SMILES CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S
Show InChI InChI=1S/C18H20N2OS2/c1-2-3-14-20-17(21)16(23-18(20)22)12-8-5-9-13-19-15-10-6-4-7-11-15/h4-13,21H,2-3,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 576n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47674
PNG
(3-(3-chloro-4-methoxybenzyl)-4-imino-6,7-dimethoxy...)
Show SMILES COc1ccc(Cn2c(N)c3cc(OC)c(OC)cc3nc2=S)cc1Cl
Show InChI InChI=1S/C18H18ClN3O3S/c1-23-14-5-4-10(6-12(14)19)9-22-17(20)11-7-15(24-2)16(25-3)8-13(11)21-18(22)26/h4-8H,9,20H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 602n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47568
PNG
(1-[(3,4-dimethoxyphenyl)methylideneamino]-3-thioph...)
Show SMILES COc1ccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC
Show InChI InChI=1S/C23H19N5O4S2/c1-31-17-10-9-14(12-18(17)32-2)13-25-28-22(24)21(34(29,30)19-8-5-11-33-19)20-23(28)27-16-7-4-3-6-15(16)26-20/h3-13H,24H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 612n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47686
PNG
((4E)-2-methoxy-4-[[(6-methyl-1-phenyl-4-pyrazolo[3...)
Show SMILES COc1cc(CN=Nc2nc(C)nc3n(ncc23)-c2ccccc2)ccc1O
Show InChI InChI=1S/C20H18N6O2/c1-13-23-19(25-21-11-14-8-9-17(27)18(10-14)28-2)16-12-22-26(20(16)24-13)15-6-4-3-5-7-15/h3-10,12,27H,11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 638n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47641
PNG
(10-oxo-N-(thien-2-ylmethyl)-10H-pyrido[1,2-a]thien...)
Show SMILES O=C(NCc1cccs1)c1cccn2c1nc1ccsc1c2=O
Show InChI InChI=1S/C16H11N3O2S2/c20-15(17-9-10-3-2-7-22-10)11-4-1-6-19-14(11)18-12-5-8-23-13(12)16(19)21/h1-8H,9H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 664n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47585
PNG
(1-(2,1,3-benzothiadiazol-4-yl)-3-[(3,4-dimethoxyph...)
Show SMILES COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC
Show InChI InChI=1S/C16H15N5O3S/c1-23-13-7-6-10(8-14(13)24-2)9-17-19-16(22)18-11-4-3-5-12-15(11)21-25-20-12/h3-9H,1-2H3,(H2,18,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 682n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 690n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34783
PNG
((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...)
Show SMILES Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-16(20-17(19-10)23-12(3)6-11(2)22-23)21-18-9-13-4-5-14(24)8-15(13)25/h4-8,24-25H,9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 831n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47597
PNG
(MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 950n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 951n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47603
PNG
((5E)-2-(4-hydroxyanilino)-5-(4-hydroxy-3,5-dimetho...)
Show SMILES COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O
Show InChI InChI=1S/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 974n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47670
PNG
(8-amino-7-methyl-9-nitro-1H-benzo[g]pteridine-2,4-...)
Show SMILES Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
Show InChI InChI=1S/C11H8N6O4/c1-3-2-4-6(8(5(3)12)17(20)21)14-9-7(13-4)10(18)16-11(19)15-9/h2H,12H2,1H3,(H2,14,15,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.18E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47609
PNG
((3E)-2-amino-3-[(3-methoxyphenyl)hydrazinylidene]-...)
Show SMILES COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc1CCCCc1c2=O
Show InChI InChI=1S/C17H18N6O2/c1-25-11-6-4-5-10(9-11)20-21-14-15(18)22-23-16(14)19-13-8-3-2-7-12(13)17(23)24/h4-6,9,22H,2-3,7-8,18H2,1H3
PDB
MMDB

NCI pathway
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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 1.29E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47651
PNG
(1-(1-pyrrolidinyl)-2-[(3-thiophen-2-yl-[1,2,4]tria...)
Show SMILES O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
Show InChI InChI=1S/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.30E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47648
PNG
(4-(cycloheptylamino)-6,7-dimethoxy-1H-quinazoline-...)
Show SMILES COc1cc2nc(=S)[nH]c(NC3CCCCCC3)c2cc1OC
Show InChI InChI=1S/C17H23N3O2S/c1-21-14-9-12-13(10-15(14)22-2)19-17(23)20-16(12)18-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,18,19,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.32E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47682
PNG
(MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Show InChI InChI=1S/C17H15N3O3S3/c1-22-12-6-5-10(8-13(12)23-2)11-9-26-17(18-11)20-16(24)19-15(21)14-4-3-7-25-14/h3-9H,1-2H3,(H2,18,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.33E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47599
PNG
(3-(2-furanyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-p...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-24(26)19-12-9-16(10-13-19)8-11-17-15-20(21-7-4-14-27-21)23(22-17)18-5-2-1-3-6-18/h1-14,20H,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47573
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
Show InChI InChI=1S/C25H29N3O4S/c1-30-14-13-28-24(29)23(33-25(28)26-19-9-5-4-6-10-19)16-18-15-22(32-3)20(17-21(18)31-2)27-11-7-8-12-27/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3/b23-16-,26-25+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.39E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47588
PNG
(2-(4-Phenyl-thiazol-2-yl)-benzo[f]chromen-3-yliden...)
Show SMILES N=c1oc2ccc3ccccc3c2cc1-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H14N2OS/c23-21-18(22-24-19(13-26-22)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-20(17)25-21/h1-13,23H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47616
PNG
(2-amino-3-[(4-hydroxyphenyl)diazenyl]-7-methylpyra...)
Show SMILES Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12
Show InChI InChI=1S/C13H12N6O2/c1-7-6-10(21)15-13-11(12(14)18-19(7)13)17-16-8-2-4-9(20)5-3-8/h2-6,20H,1H3,(H2,14,18)(H,15,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47618
PNG
(4-[2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydraziny...)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H14N4O6S/c1-9(10-2-5-14-15(6-10)25-8-24-14)17-18-12-4-3-11(26(16,22)23)7-13(12)19(20)21/h2-7,9H,8H2,1H3,(H2,16,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47692
PNG
(1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-3-pr...)
Show SMILES CC(C)NC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H13N5O3S/c1-6(2)13-12(21)16-15-10-8-5-7(17(19)20)3-4-9(8)14-11(10)18/h3-6H,1-2H3,(H3,13,14,15,16,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.43E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM45196
PNG
(1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3...)
Show SMILES Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H17BrN6O2S/c1-11-16(19(29)27(26(11)2)13-6-4-3-5-7-13)23-20(30)25-24-17-14-10-12(21)8-9-15(14)22-18(17)28/h3-10H,1-2H3,(H,22,24,28)(H2,23,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.48E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47591
PNG
((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...)
Show SMILES CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 1.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 526 total )  |  Next  |  Last  >>
Jump to: