Compile Data Set for Download or QSAR
Found 76 with Last Name = 'nicolaou' and Initial = 'kc'
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36603(4'',6''-Dideoxybalanol, 6)copy SMILEScopy InChI
Affinity DataKi:  3.40nM ΔG°:  -49.1kJ/mole IC50: 5.5nMpH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36604(5'-Deoxybalanol, 7)copy SMILEScopy InChI
Affinity DataKi:  3.5nM ΔG°:  -49.1kJ/mole IC50: 5.70nMpH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM3207(10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...)copy SMILEScopy InChI
Affinity DataKi:  3.90nM ΔG°:  -48.8kJ/mole IC50: 6.30nMpH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM3149(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)copy SMILEScopy InChI
Affinity DataKi:  4.70nM ΔG°:  -48.3kJ/molepH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM3149(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)copy SMILEScopy InChI
Affinity DataKi:  5.30nM ΔG°:  -48.0kJ/moleT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36602(14''-Decarboxybalanol hydrochloride, 5)copy SMILEScopy InChI
Affinity DataKi:  11nM ΔG°:  -46.2kJ/mole IC50: 18nMpH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)copy SMILEScopy InChI
Affinity DataKi:  19nM ΔG°:  -44.8kJ/moleT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)copy SMILEScopy InChI
Affinity DataKi:  35nMpH: 7.5Assay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36606(H-89, 10)copy SMILEScopy InChI
Affinity DataKi:  48nMpH: 7.5Assay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36605(KT5720, 9)copy SMILEScopy InChI
Affinity DataKi:  56nMpH: 7.5Assay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36604(5'-Deoxybalanol, 7)copy SMILEScopy InChI
Affinity DataKi:  69nM ΔG°:  -41.6kJ/mole IC50: 95nMpH: 7.5 T: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36603(4'',6''-Dideoxybalanol, 6)copy SMILEScopy InChI
Affinity DataKi:  80nM ΔG°:  -41.2kJ/mole IC50: 111nMpH: 7.5 T: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM3207(10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...)copy SMILEScopy InChI
Affinity DataKi:  640nM ΔG°:  -35.9kJ/mole IC50: 834nMpH: 7.5 T: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36605(KT5720, 9)copy SMILEScopy InChI
Affinity DataKi: >2.00E+3nM ΔG°: >-33.1kJ/moleT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36602(14''-Decarboxybalanol hydrochloride, 5)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nM ΔG°:  -30.8kJ/mole IC50: 6.90E+3nMT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36600(Benzophenone fragment, 2)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-29.0kJ/molepH: 7.5 T: 2°CAssay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetcAMP-dependent protein kinase(Oryctolagus cuniculus (Rabbit))
University of California, San Diego

LigandPNGBDBM36601(Hexahydroazepine, 3)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMpH: 7.5Assay Description:Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36606(H-89, 10)copy SMILEScopy InChI
Affinity DataKi:  3.17E+4nM ΔG°:  -26.1kJ/moleT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36600(Benzophenone fragment, 2)copy SMILEScopy InChI
Affinity DataKi: >1.00E+6nM ΔG°: >-17.4kJ/molepH: 7.5 T: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetProtein kinase C beta type(Rattus norvegicus (rat))
University of California, San Diego

LigandPNGBDBM36601(Hexahydroazepine, 3)copy SMILEScopy InChI
Affinity DataKi: >1.00E+6nM ΔG°: >-17.4kJ/moleT: 2°CAssay Description:Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3X8DPubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.450nMAssay Description:Inhibitory concentration against binding to FKBP12More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)copy SMILEScopy InChI
Affinity DataIC50: 0.450nMAssay Description:Inhibitory concentration against FKBP12 receptorMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172395((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...)copy SMILEScopy InChI
Affinity DataIC50: 9.60nMAssay Description:Inhibitory concentration against binding to FKBP12More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172395((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...)copy SMILEScopy InChI
Affinity DataIC50: 9.60nMAssay Description:Inhibitory concentration against FKBP12 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172384(3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibitory concentration against integrin alpha-2b beta3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172384(3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibitory concentration against alpha IIb beta-3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)copy SMILEScopy InChI
Affinity DataIC50: 15.0nMAssay Description:Inhibitory concentration against synaptosomes using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)copy SMILEScopy InChI
Affinity DataIC50: 15.0nMAssay Description:Inhibitory concentration against synaptosome using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172374(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibitory concentration against NADH-ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172374(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibitory concentration against NADH ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172381(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)copy SMILEScopy InChI
Affinity DataIC50: 55nMAssay Description:Inhibitory concentration against NADH ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172381(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)copy SMILEScopy InChI
Affinity DataIC50: 55nMAssay Description:Inhibitory concentration against NADH-ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484273(CHEMBL1824104)copy SMILEScopy InChI
Affinity DataIC50: 508nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484271(CHEMBL1824130)copy SMILEScopy InChI
Affinity DataIC50: 532nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50396040(CHEMBL1823895)copy SMILEScopy InChI
Affinity DataIC50: 593nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484270(CHEMBL1824127)copy SMILEScopy InChI
Affinity DataIC50: 656nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484272(CHEMBL1824131)copy SMILEScopy InChI
Affinity DataIC50: 672nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484276(CHEMBL1824129)copy SMILEScopy InChI
Affinity DataIC50: 731nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484275(CHEMBL1824132)copy SMILEScopy InChI
Affinity DataIC50: 1.01E+3nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Homo sapiens (Human))
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50484274(CHEMBL1824124)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125WH0PubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117084((5R,10S)-7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117077(3-[4-(3-Amino-propoxy)-3,5-dibromo-phenyl]-N-(4-ca...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172380(CHEMBL370148 | Truncated brevetoxin B)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against synaptosomes using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172380(CHEMBL370148 | Truncated brevetoxin B)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory concentration against synaptosome using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V988V1PubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117088(8,10-Dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-aza-s...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117086(8,10-Dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-aza-s...)copy SMILEScopy InChI
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50117078(CHEMBL197081 | CHEMBL312123 | N-[2-(4-Amino-phenyl...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosisMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD111CPubMed
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