BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'forgione' and Initial = 'm'   
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
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.18E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.22E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038303
PNG
(CHEMBL3360522)
Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(cc2)C(=O)NOCc2ccccc2)c2nonc12
Show InChI InChI=1S/C21H16N4O5S/c26-21(24-29-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)13-31-18-11-10-17(25(27)28)19-20(18)23-30-22-19/h1-11H,12-13H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038330
PNG
(CHEMBL3360531)
Show SMILES [O-][N+](=O)c1ccc(SCC2CCCCC2)c2nonc12
Show InChI InChI=1S/C13H15N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038328
PNG
(CHEMBL3360529)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C15H18N4O7S/c1-15(2,3)25-14(21)16-8(13(20)24-4)7-27-10-6-5-9(19(22)23)11-12(10)18-26-17-11/h5-6,8H,7H2,1-4H3,(H,16,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038305
PNG
(CHEMBL3352898)
Show SMILES OC(=O)c1ccc(CSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H9N3O5S/c18-14(19)9-3-1-8(2-4-9)7-23-11-6-5-10(17(20)21)12-13(11)16-22-15-12/h1-6H,7H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038334
PNG
(CHEMBL3360535)
Show SMILES OCCCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C14H19N3O4S/c18-9-5-3-1-2-4-6-10-22-12-8-7-11(17(19)20)13-14(12)16-21-15-13/h7-8,18H,1-6,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038304
PNG
(CHEMBL3360521)
Show SMILES CCOC(=O)c1ccc(CSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C16H13N3O5S/c1-2-23-16(20)11-5-3-10(4-6-11)9-25-13-8-7-12(19(21)22)14-15(13)18-24-17-14/h3-8H,2,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038329
PNG
(CHEMBL3360530)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H16N4O7S/c1-27-17(23)12(19-18(24)28-9-11-5-3-2-4-6-11)10-30-14-8-7-13(22(25)26)15-16(14)21-29-20-15/h2-8,12H,9-10H2,1H3,(H,19,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038321
PNG
(CHEMBL3360505)
Show SMILES [O-][N+](=O)c1ccc(SCCCc2ccccc2)c2nonc12
Show InChI InChI=1S/C15H13N3O3S/c19-18(20)12-8-9-13(15-14(12)16-21-17-15)22-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038325
PNG
(CHEMBL1234570)
Show SMILES OCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038308
PNG
(CHEMBL3360518)
Show SMILES OC(=O)Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H9N3O5S/c18-12(19)7-8-1-3-9(4-2-8)23-11-6-5-10(17(20)21)13-14(11)16-22-15-13/h1-6H,7H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038306
PNG
(CHEMBL3360520)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(CCC(=O)NOCc3ccccc3)cc2)c2nonc12
Show InChI InChI=1S/C22H18N4O5S/c27-20(23-30-14-16-4-2-1-3-5-16)13-8-15-6-9-17(10-7-15)32-19-12-11-18(26(28)29)21-22(19)25-31-24-21/h1-7,9-12H,8,13-14H2,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038322
PNG
(CHEMBL3360504)
Show SMILES [O-][N+](=O)c1ccc(SCCc2ccccc2)c2nonc12
Show InChI InChI=1S/C14H11N3O3S/c18-17(19)11-6-7-12(14-13(11)15-20-16-14)21-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038323
PNG
(CHEMBL2430532)
Show SMILES [O-][N+](=O)c1ccc(SCc2ccccc2)c2nonc12
Show InChI InChI=1S/C13H9N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h1-7H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038311
PNG
(CHEMBL3360515)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOCc2ccccc2)c2nonc12
Show InChI InChI=1S/C20H14N4O5S/c25-20(23-28-12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)30-17-11-10-16(24(26)27)18-19(17)22-29-21-18/h1-11H,12H2,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038307
PNG
(CHEMBL3360519)
Show SMILES OC(=O)CCc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H11N3O5S/c19-13(20)8-3-9-1-4-10(5-2-9)24-12-7-6-11(18(21)22)14-15(12)17-23-16-14/h1-2,4-7H,3,8H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM27179
PNG
(triazole-linked azithromycin-based compound, 16c)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35-,36+,40+,41-,43+,44-,45+,46-,47+,48-,50+,51-,52-,53-/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assay


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038302
PNG
(CHEMBL3360523)
Show SMILES CONC(=O)c1ccc(CCSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C16H14N4O5S/c1-24-19-16(21)11-4-2-10(3-5-11)8-9-26-13-7-6-12(20(22)23)14-15(13)18-25-17-14/h2-7H,8-9H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038301
PNG
(CHEMBL3360524)
Show SMILES COC(=O)CCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H9N3O5S/c1-17-8(14)4-5-19-7-3-2-6(13(15)16)9-10(7)12-18-11-9/h2-3H,4-5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038327
PNG
(CHEMBL3360528)
Show SMILES [O-][N+](=O)c1ccc(SCCC(=O)N2CCC(=O)CC2)c2nonc12
Show InChI InChI=1S/C14H14N4O5S/c19-9-3-6-17(7-4-9)12(20)5-8-24-11-2-1-10(18(21)22)13-14(11)16-23-15-13/h1-2H,3-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038333
PNG
(CHEMBL3360534)
Show SMILES OCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H11N3O4S/c14-5-1-2-6-18-8-4-3-7(13(15)16)9-10(8)12-17-11-9/h3-4,14H,1-2,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038326
PNG
(CHEMBL3360527)
Show SMILES [O-][N+](=O)c1ccc(SCCN2CCC(=O)CC2)c2nonc12
Show InChI InChI=1S/C13H14N4O4S/c18-9-3-5-16(6-4-9)7-8-22-11-2-1-10(17(19)20)12-13(11)15-21-14-12/h1-2H,3-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038331
PNG
(CHEMBL3360532)
Show SMILES CC(C)(C)Sc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H11N3O3S/c1-10(2,3)17-7-5-4-6(13(14)15)8-9(7)12-16-11-8/h4-5H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038324
PNG
(CHEMBL2430537)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccccc2)c2nonc12
Show InChI InChI=1S/C12H7N3O3S/c16-15(17)9-6-7-10(12-11(9)13-18-14-12)19-8-4-2-1-3-5-8/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038315
PNG
(CHEMBL3360511)
Show SMILES ONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H8N4O5S/c18-13(14-19)7-1-3-8(4-2-7)23-10-6-5-9(17(20)21)11-12(10)16-22-15-11/h1-6,19H,(H,14,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038299
PNG
(CHEMBL3360526)
Show SMILES OCCNC(=O)CCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C11H12N4O5S/c16-5-4-12-9(17)3-6-21-8-2-1-7(15(18)19)10-11(8)14-20-13-10/h1-2,16H,3-6H2,(H,12,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038300
PNG
(CHEMBL3360525)
Show SMILES CC(=O)NCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H10N4O4S/c1-6(15)11-4-5-19-8-3-2-7(14(16)17)9-10(8)13-18-12-9/h2-3H,4-5H2,1H3,(H,11,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038332
PNG
(CHEMBL3360533)
Show SMILES OCC(O)CSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C9H9N3O5S/c13-3-5(14)4-18-7-2-1-6(12(15)16)8-9(7)11-17-10-8/h1-2,5,13-14H,3-4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038319
PNG
(CHEMBL3360507)
Show SMILES OC(=O)c1cccc(Sc2ccc([N+]([O-])=O)c3nonc23)c1
Show InChI InChI=1S/C13H7N3O5S/c17-13(18)7-2-1-3-8(6-7)22-10-5-4-9(16(19)20)11-12(10)15-21-14-11/h1-6H,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038302
PNG
(CHEMBL3360523)
Show SMILES CONC(=O)c1ccc(CCSc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C16H14N4O5S/c1-24-19-16(21)11-4-2-10(3-5-11)8-9-26-13-7-6-12(20(22)23)14-15(13)18-25-17-14/h2-7H,8-9H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038306
PNG
(CHEMBL3360520)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(CCC(=O)NOCc3ccccc3)cc2)c2nonc12
Show InChI InChI=1S/C22H18N4O5S/c27-20(23-30-14-16-4-2-1-3-5-16)13-8-15-6-9-17(10-7-15)32-19-12-11-18(26(28)29)21-22(19)25-31-24-21/h1-7,9-12H,8,13-14H2,(H,23,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038313
PNG
(CHEMBL3360513)
Show SMILES CONC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H10N4O5S/c1-22-17-14(19)8-2-4-9(5-3-8)24-11-7-6-10(18(20)21)12-13(11)16-23-15-12/h2-7H,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038317
PNG
(CHEMBL3360509)
Show SMILES CCOC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H11N3O5S/c1-2-22-15(19)9-3-5-10(6-4-9)24-12-8-7-11(18(20)21)13-14(12)17-23-16-13/h3-8H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038314
PNG
(CHEMBL3360512)
Show SMILES CN(C)C(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H12N4O4S/c1-18(2)15(20)9-3-5-10(6-4-9)24-12-8-7-11(19(21)22)13-14(12)17-23-16-13/h3-8H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038303
PNG
(CHEMBL3360522)
Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(cc2)C(=O)NOCc2ccccc2)c2nonc12
Show InChI InChI=1S/C21H16N4O5S/c26-21(24-29-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)13-31-18-11-10-17(25(27)28)19-20(18)23-30-22-19/h1-11H,12-13H2,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038316
PNG
(CHEMBL3360510)
Show SMILES NC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H8N4O4S/c14-13(18)7-1-3-8(4-2-7)22-10-6-5-9(17(19)20)11-12(10)16-21-15-11/h1-6H,(H2,14,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038322
PNG
(CHEMBL3360504)
Show SMILES [O-][N+](=O)c1ccc(SCCc2ccccc2)c2nonc12
Show InChI InChI=1S/C14H11N3O3S/c18-17(19)11-6-7-12(14-13(11)15-20-16-14)21-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038318
PNG
(CHEMBL3360508)
Show SMILES OC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C13H7N3O5S/c17-13(18)7-1-3-8(4-2-7)22-10-6-5-9(16(19)20)11-12(10)15-21-14-11/h1-6H,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038312
PNG
(CHEMBL3360514)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2)C(=O)NOC2CCCCO2)c2nonc12
Show InChI InChI=1S/C18H16N4O6S/c23-18(21-27-15-3-1-2-10-26-15)11-4-6-12(7-5-11)29-14-9-8-13(22(24)25)16-17(14)20-28-19-16/h4-9,15H,1-3,10H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038331
PNG
(CHEMBL3360532)
Show SMILES CC(C)(C)Sc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C10H11N3O3S/c1-10(2,3)17-7-5-4-6(13(14)15)8-9(7)12-16-11-8/h4-5H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038330
PNG
(CHEMBL3360531)
Show SMILES [O-][N+](=O)c1ccc(SCC2CCCCC2)c2nonc12
Show InChI InChI=1S/C13H15N3O3S/c17-16(18)10-6-7-11(13-12(10)14-19-15-13)20-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038329
PNG
(CHEMBL3360530)
Show SMILES COC(=O)C(CSc1ccc([N+]([O-])=O)c2nonc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H16N4O7S/c1-27-17(23)12(19-18(24)28-9-11-5-3-2-4-6-11)10-30-14-8-7-13(22(25)26)15-16(14)21-29-20-15/h2-8,12H,9-10H2,1H3,(H,19,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038308
PNG
(CHEMBL3360518)
Show SMILES OC(=O)Cc1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C14H9N3O5S/c18-12(19)7-8-1-3-9(4-2-8)23-11-6-5-10(17(20)21)13-14(11)16-22-15-13/h1-6H,7H2,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50453752
PNG
(CHEMBL4213473)
Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C |r|
Show InChI InChI=1S/C55H91N5O15/c1-13-42-55(10,68)48(64)34(4)45(62)32(2)28-53(8,67)50(35(5)47(36(6)51(66)73-42)74-44-29-54(9,70-12)49(65)37(7)72-44)75-52-46(63)41(27-33(3)71-52)59(11)30-38-22-24-39(25-23-38)40-31-60(58-56-40)26-20-18-16-14-15-17-19-21-43(61)57-69/h22-25,31-37,41-42,44,46-50,52,63-65,67-69H,13-21,26-30H2,1-12H3,(H,57,61)/t32-,33-,34+,35+,36-,37+,41+,42-,44+,46-,47+,48-,49+,50-,52+,53-,54-,55-/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 401n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assay


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 2


(Homo sapiens (Human))
BDBM50038310
PNG
(CHEMBL3360516)
Show SMILES OCCNC(=O)c1ccc(Sc2ccc([N+]([O-])=O)c3nonc23)cc1
Show InChI InChI=1S/C15H12N4O5S/c20-8-7-16-15(21)9-1-3-10(4-2-9)25-12-6-5-11(19(22)23)13-14(12)18-24-17-13/h1-6,20H,7-8H2,(H,16,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Glutathione S-transferase P


(Homo sapiens (Human))
BDBM50038334
PNG
(CHEMBL3360535)
Show SMILES OCCCCCCCCSc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C14H19N3O4S/c18-9-5-3-1-2-4-6-10-22-12-8-7-11(17(19)20)13-14(12)16-21-15-13/h7-8,18H,1-6,9-10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



"Sapienza" University of Rome

Curated by ChEMBL


Assay Description
Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method


Eur J Med Chem 89: 156-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.033
BindingDB Entry DOI: 10.7270/Q26D5VMX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 117 total )  |  Next  |  Last  >>
Jump to: