Compile Data Set for Download or QSAR
Found 36 with Last Name = 'castagnolo' and Initial = 'd'
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))TBA
LigandPNGBDBM50615159(CHEMBL5278664)copy SMILES
Affinity DataIC50: 1.5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetDecaprenylphosphoryl-beta-D-ribose oxidase(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)TBA
LigandPNGBDBM50517949(CHEMBL4447540)copy SMILEScopy InChI
Affinity DataIC50: 5.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)TBA
LigandPNGBDBM50589215(CHEMBL5190515)copy SMILES
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50517949(CHEMBL4447540)copy SMILEScopy InChI
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPolyketide synthase Pks13(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)TBA
LigandPNGBDBM50520948(CHEMBL4443524)copy SMILEScopy InChI
Affinity DataIC50: 190nMMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))TBA
LigandPNGBDBM50598090(CHEMBL5207531)copy SMILES
Affinity DataIC50: 560nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50598090(CHEMBL5207531)copy SMILES
Affinity DataIC50: 560nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50598090(CHEMBL5207531)copy SMILES
Affinity DataIC50: 560nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50615160(CHEMBL5289568)copy SMILES
Affinity DataIC50: 650nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM16312((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)copy SMILEScopy InChI
Affinity DataIC50: 650nMMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 670nMAssay Description:Inhibition of human MDR1 expressed in mouse L5178 cells assessed as increase in intracellular accumulation of rhodamine 123 by FACSCalibur flow cytom...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28K7B2NPubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50615161(CHEMBL5279118)copy SMILES
Affinity DataIC50: 3.19E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50378908(CHEMBL1688197)copy SMILEScopy InChI
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of human MDR1 expressed in mouse L5178 cells assessed as increase in intracellular accumulation of rhodamine 123 by FACSCalibur flow cytom...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28K7B2NPubMed
TargetDNA topoisomerase 4 subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50366826(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)copy SMILEScopy InChI
Affinity DataIC50: 1.02E+4nMAssay Description:Inhibition of Staphylococcus aureus topoisomerase-4 expressed in Escherichia coli assessed as relaxation of pBR322 substrate measured after 4 hrs by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50515038(CHEMBL4460653)copy SMILEScopy InChI
Affinity DataIC50: 1.53E+4nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase S84L mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50339000((1R,2R,9R)-2-methoxy-9-((2-methoxyethoxy)methoxy)-...)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human MDR1 expressed in mouse L5178 cells assessed as increase in intracellular accumulation of rhodamine 123 by FACSCalibur flow cytom...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28K7B2NPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50615162(CHEMBL5286328)copy SMILES
Affinity DataIC50: 2.48E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50598092(CHEMBL4473719)copy SMILES
Affinity DataIC50: 2.50E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583310(CHEMBL5082711)copy SMILES
Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
LigandPNGBDBM50517949(CHEMBL4447540)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetMaltase-glucoamylase(Homo sapiens (Human))TBA
LigandPNGBDBM50615162(CHEMBL5286328)copy SMILES
Affinity DataIC50: 3.05E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50515037(CHEMBL4436044)copy SMILEScopy InChI
Affinity DataIC50: 4.36E+4nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase S84L mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50615162(CHEMBL5286328)copy SMILES
Affinity DataIC50: 4.56E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50598088(CHEMBL2098221 | GSK3011724A | TCMDC-142399)copy SMILES
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR238MPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50615162(CHEMBL5286328)copy SMILES
Affinity DataIC50: 5.87E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetDNA topoisomerase 4 subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50515038(CHEMBL4460653)copy SMILEScopy InChI
Affinity DataIC50: 6.16E+4nMAssay Description:Inhibition of Staphylococcus aureus topoisomerase-4 expressed in Escherichia coli assessed as relaxation of pBR322 substrate measured after 4 hrs by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50515039(CHEMBL4530791)copy SMILEScopy InChI
Affinity DataIC50: 6.88E+4nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase S84L mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Sapienza University of Rome

Curated by ChEMBL
LigandPNGBDBM50366826(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)copy SMILEScopy InChI
Affinity DataIC50: 5.45E+5nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase S84L mutantMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q21KHPubMed