Compile Data Set for Download or QSAR
Found 317 with Last Name = 'centrella' and Initial = 'pa'
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataKi:  7nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataKi:  49nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50568221(CHEMBL4854947)copy SMILES
Affinity DataKi:  1.25E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells assessed as inhibitory constant incubated fo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M04964PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50568222(CHEMBL4867490)copy SMILES
Affinity DataKi:  1.93E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells assessed as inhibitory constant incubated fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M04964PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50568220(CHEMBL4873655)copy SMILES
Affinity DataKi:  9.27E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells assessed as inhibitory constant incubated fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M04964PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50088527(CHEMBL3527358)copy SMILEScopy InChI
Affinity DataKi:  5.80E+4nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50088527(CHEMBL3527358)copy SMILEScopy InChI
Affinity DataKi:  2.87E+5nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50088527(CHEMBL3527358)copy SMILEScopy InChI
Affinity DataKi:  4.03E+5nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC62XHPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM225238(BTK inhibitor, 3)copy SMILES
Affinity DataIC50: 0.550nMAssay Description:Inhibition of recombinant wild type human N-terminal His6-tagged BTK expressed in baculovirus incubated for 20 mins by TR-FRET based competitive bind...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM225238(BTK inhibitor, 3)copy SMILES
Affinity DataIC50: 0.550nMT: 2°CAssay Description:The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50566635(CHEMBL4875337)copy SMILES
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetCollagenase 3(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9D6TPubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50566638(CHEMBL4862566)copy SMILES
Affinity DataIC50: 1nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9D6TPubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Praecis Pharmaceuticals

LigandPNGBDBM36463(3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(3...)copy SMILEScopy InChI
Affinity DataIC50: 2nMpH: 9.5 T: 2°CAssay Description:Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MP51NXPubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Praecis Pharmaceuticals

LigandPNGBDBM36462(3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(3...)copy SMILEScopy InChI
Affinity DataIC50: 2nMpH: 9.5 T: 2°CAssay Description:Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MP51NXPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448867(CHEMBL3125235)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
LigandPNGBDBM50091691(CHEMBL3582356)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448871(CHEMBL3125101)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
LigandPNGBDBM50091689(CHEMBL3582354)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448888(CHEMBL3125253)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM225238(BTK inhibitor, 3)copy SMILES
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK C481S mutant expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50539700(CHEMBL4637413)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448880(CHEMBL3125261)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448875(CHEMBL3125266)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 4(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9D6TPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448868(CHEMBL3125104)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50566636(CHEMBL4870025)copy SMILES
Affinity DataIC50: 3nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM225238(BTK inhibitor, 3)copy SMILES
Affinity DataIC50: 3.80nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448870(CHEMBL3125102)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448885(CHEMBL3125256)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448866(CHEMBL3125270)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448869(CHEMBL3125103)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
LigandPNGBDBM50091692(CHEMBL3582357)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
LigandPNGBDBM50091696(CHEMBL3582351)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
LigandPNGBDBM50091695(CHEMBL3582350)copy SMILEScopy InChI
Affinity DataIC50: 4.40nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448864(CHEMBL3125276)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448845(CHEMBL3125240)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448886(CHEMBL3125255)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448882(CHEMBL3125259)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50566637(CHEMBL4871885)copy SMILES
Affinity DataIC50: 6nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448838(CHEMBL3125247)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RX9D6TPubMed
LigandPNGBDBM50091695(CHEMBL3582350)copy SMILEScopy InChI
Affinity DataIC50: 6.5nMAssay Description:Inhibition of wild type his-tagged PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP04JFPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448889(CHEMBL3125252)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448881(CHEMBL3125260)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
LigandPNGBDBM50091689(CHEMBL3582354)copy SMILEScopy InChI
Affinity DataIC50: 8.5nMAssay Description:Inhibition of PI3Kalpha H1047R mutant (unknown origin)More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50566632(CHEMBL4850549)copy SMILES
Affinity DataIC50: 9nMAssay Description:Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GNBPubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50448890(CHEMBL3125251)copy SMILEScopy InChI
Affinity DataIC50: 9nMAssay Description:Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP25XBPubMed
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