Compile Data Set for Download or QSAR
Found 106 with Last Name = 'gustafson' and Initial = 'kr'
LigandPNGBDBM50368315(PROSTRATIN)copy SMILEScopy InChI
Affinity DataKi:  190nMAssay Description:Displacement of [3H]PDBu binding to Protein kinase C of CEM cells with 10% fetal calf serumMore data for this Ligand-Target Pair
TargetMucosa-associated lymphoid tissue lymphoma translocation protein 1(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50518787(CHEMBL4534670)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Inhibition of full-length human GST-tagged MALT1 isoform A (824 residues) expressed in Escherichia coli using Ac-LRSR-MCA as substrate after 1 hr by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8X8DPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50190657(CHEMBL1194747)copy SMILEScopy InChI
Affinity DataIC50: 730nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
LigandPNGBDBM32628(FTC | Fumitremorgin C)copy SMILEScopy InChI
Affinity DataIC50: 790nMpH: 7.4 T: 2°CAssay Description:IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542KZWPubMed
LigandPNGBDBM32628(FTC | Fumitremorgin C)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50190661(CHEMBL3901938)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50190659(CHEMBL3912024)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50190656(CHEMBL3910426)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
LigandPNGBDBM19460((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50269764((+)-Discorhabdin B | CHEMBL459120 | Discorhabdin A...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
LigandPNGBDBM50339152((S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(...)copy SMILEScopy InChI
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50339155(6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50064888(3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50321556(8-hydroxy-5,10-dimethoxy-2-propyl-4H-benzo[h]chrom...)copy SMILEScopy InChI
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
LigandPNGBDBM50307019(CHEMBL599745 | N-(4-hydroxystyryl)-2-methoxy-3-(4-...)copy SMILEScopy InChI
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460/MX20 cells assessed as accumulation of ABCG2 substrate pheophorbide-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V124WSPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581859(CHEMBL5083569)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581864(CHEMBL5076820)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581863(CHEMBL5093634)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
LigandPNGBDBM50339159(5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-di...)copy SMILEScopy InChI
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581862(CHEMBL5092374)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581861(CHEMBL5089524)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581860(CHEMBL5078551)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
TargetE3 ubiquitin-protein ligase CBL-B(Homo sapiens)TBA
LigandPNGBDBM50581858(CHEMBL5087523)copy SMILES
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluore...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73JKRPubMed
LigandPNGBDBM50339151((2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM32624(Botryllamide G, 7 | US8470888, Botryllamide G)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition assay using ABCG2 or BCRP1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RR1WWTUS Patent
LigandPNGBDBM32624(Botryllamide G, 7 | US8470888, Botryllamide G)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMpH: 7.4 T: 2°CAssay Description:IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542KZWPubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50312636((-)-Makaluvamine F | CHEMBL509890 | Makaluvamine F)copy SMILEScopy InChI
Affinity DataIC50: 8.30E+3nMAssay Description:Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown o...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H9975XPubMed
LigandPNGBDBM50339158(5,7,3'-trihydroxy-3,5'-dimethoxy-2'-(3'-methylbut-...)copy SMILEScopy InChI
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM7459(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)copy SMILEScopy InChI
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50221718(CHEMBL400538 | comaparvin)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
LigandPNGBDBM50307021(3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-hydroxystyryl...)copy SMILEScopy InChI
Affinity DataIC50: 1.11E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460/MX20 cells assessed as accumulation of ABCG2 substrate pheophorbide-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V124WSPubMed
LigandPNGBDBM32617(Botryllamide A, 1 | US8470888, Botryllamide A)copy SMILEScopy InChI
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition assay using ABCG2 or BCRP1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RR1WWTUS Patent
LigandPNGBDBM32619(Botryllamide B, 2)copy SMILEScopy InChI
Affinity DataIC50: 1.12E+4nMpH: 7.4 T: 2°CAssay Description:IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542KZWPubMed
TargetSmall ubiquitin-related modifier 1(Homo sapiens (Human))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50366295(CHEMBL4163902)copy SMILEScopy InChI
Affinity DataIC50: 1.19E+4nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged SUMO1 expressed in Escherichia coli assessed as reduction in FL-AR peptide sumoylation measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028V31PubMed
LigandPNGBDBM50321557(5,8-dihydroxy-6,10-dimethoxy-2-methyl-4H-benzo[h]c...)copy SMILEScopy InChI
Affinity DataIC50: 1.19E+4nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
LigandPNGBDBM50339156((S)-8-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50242177(5,8-dihydroxy-10-methoxy-2-methyl-4H-benzo[h]chrom...)copy SMILEScopy InChI
Affinity DataIC50: 1.28E+4nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
TargetPAX33/FOXO11(Homo sapiens (Human))TBA
LigandPNGBDBM50595105(CHEMBL5192045)copy SMILES
Affinity DataIC50: 1.30E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6X85PubMed
LigandPNGBDBM50307018(CHEMBL599744 | N-(4-hydroxystyryl)-2-methoxy-3-phe...)copy SMILEScopy InChI
Affinity DataIC50: 1.54E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460/MX20 cells assessed as accumulation of ABCG2 substrate pheophorbide-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V124WSPubMed
LigandPNGBDBM50339153((2S)-5,7,3',5'-tetrahydroxy-8-[3'',8''-dimethyloct...)copy SMILEScopy InChI
Affinity DataIC50: 1.55E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM32620(Botryllamide C, 3 | US8470888, Botryllamide D)copy SMILEScopy InChI
Affinity DataIC50: 1.64E+4nMAssay Description:Inhibition assay using ABCG2 or BCRP1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RR1WWTUS Patent
LigandPNGBDBM32621(Botryllamide D, 4)copy SMILEScopy InChI
Affinity DataIC50: 1.64E+4nMpH: 7.4 T: 2°CAssay Description:IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542KZWPubMed
LigandPNGBDBM50321555(6-methoxycomaparvin 5-methyl ether | CHEMBL256967)copy SMILEScopy InChI
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
LigandPNGBDBM32623(Botryllamide F, 6 | US8470888, Botryllamide F)copy SMILEScopy InChI
Affinity DataIC50: 1.67E+4nMpH: 7.4 T: 2°CAssay Description:IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542KZWPubMed
LigandPNGBDBM32623(Botryllamide F, 6 | US8470888, Botryllamide F)copy SMILEScopy InChI
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibition assay using ABCG2 or BCRP1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RR1WWTUS Patent
TargetPaired box protein Pax-3(Homo sapiens)TBA
LigandPNGBDBM50595107(CHEMBL5185415)copy SMILES
Affinity DataIC50: 1.70E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6X85PubMed
LigandPNGBDBM50339157(5,4'-dihydroxy-3,7,3'-trimethoxyflavone | 5-Hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 1.72E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4CJTPubMed
LigandPNGBDBM50307020(3-(3,4-dihydroxyphenyl)-N-(4-hydroxystyryl)-2-meth...)copy SMILEScopy InChI
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibition of ABCG2 expressed in human NCI-H460/MX20 cells assessed as accumulation of ABCG2 substrate pheophorbide-AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V124WSPubMed
LigandPNGBDBM50321558(6-methoxycomaparvin | CHEMBL401565)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X63NX5PubMed
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