Compile Data Set for Download or QSAR
Report error Found 39 Enz. Inhib. hit(s) with all data for entry = 50007004
TargetTyrosine-protein kinase ABL1(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50237710(AMN 107 | AMN107 | 4-methyl-N-[3-(4-methyl-1H-imid...)
Affinity DataKd:  4.90nMAssay Description:Binding affinity to ABL1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM18207(dexamethasone (tetramethyl-rhodamine conjugated ) ...)
Affinity DataKd:  19nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetRenin(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
Affinity DataKd:  0.131nMAssay Description:Binding affinity to renin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50008059(CHEBI:5292 | GELDANAMYCIN)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to Heat Shock Protein 90 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boston University

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKd:  67nMAssay Description:Binding affinity to HIV-1 Aspartic ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM205429( (R)-JQ1 (3) | US9320741, (R)-JQ1 | US10407441, Co...)
Affinity DataKd:  49nMAssay Description:Inhibition of human BRD4 bromodomain1 expressed in BL21(DE3) cells by isothermal calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM14839(BIRB-796 Analog 33 | 3-(3-tert-butyl-1-phenyl-1H-p...)
Affinity DataKd:  0.100nMAssay Description:Binding affinity to P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetToll-like receptor 4(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50274760(E5564 | 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3...)
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at TLR4 in human serum assessed as reduction in LPS-induced TNFalpha production after 3 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50505289(CHEMBL1233786)
Affinity DataIC50: 6.30nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50391803(CHEMBL2146888)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of MEK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 11/12/13/14(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50359361(CHEMBL1929215)
Affinity DataIC50: 18nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataIC50: 19nMAssay Description:Inhibition of PIK3CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRNA-directed RNA polymerase(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Boston University

Curated by ChEMBL
LigandPNGBDBM50268401(CHEMBL4105584)
Affinity DataIC50: 20nMAssay Description:Inhibition of Hepatitis C virus NS5b RNA polymeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 23nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetRNA-directed RNA polymerase(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Boston University

Curated by ChEMBL
LigandPNGBDBM50505288(CHEMBL1236660)
Affinity DataIC50: 25nMAssay Description:Inhibition of Hepatitis C virus NS5b RNA polymeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50439154(CHEMBL2418761)
Affinity DataIC50: 29nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50254585(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Affinity DataIC50: 30nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50505287(CHEMBL1229657)
Affinity DataIC50: 130nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50173123(CHEMBL3810133)
Affinity DataIC50: 402nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetKinesin-like protein KIF11(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50323768((S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAH...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of Kinesin Eg5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50270877(ABT-263 | (R)-4-(4-((2-(4-chlorophenyl)-5,5-dimeth...)
Affinity DataKi:  0.0440nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50075098(CHEMBL3414626 | US9446064, A2 | US10143704, Compou...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human DOT1-like Histone H3 Methyltransferase preincubated for 30 mins followed by 3H-SAM addition and measured after 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlucocorticoid receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50148733(9,21-dichloro-11beta-hydroxy-16alpha-methyl-3,20-d...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM15244(cid_3038525 | 5-(2,6-dichlorophenyl)-2-[(2,4-diflu...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50505290(CHEBI:65172 | Exanta | Exanta (proposed) | H 376/9...)
Affinity DataKi:  2nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetKinesin-like protein KIF11(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50382559(ISPINESIB)
Affinity DataKi:  2.30nMAssay Description:Inhibition of Kinesin Eg5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM5445(N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(...)
Affinity DataKi:  3nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO...)
Affinity DataKi:  4.20nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boston University

Curated by ChEMBL
LigandPNGBDBM152(CHEMBL284314 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihy...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of HIV-1 Aspartic ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  5nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM22164(CI 981 | CHEMBL1487 | (3R,5R)-7-[2-(4-fluorophenyl...)
Affinity DataKi:  6.20nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM81734(PPY-A)
Affinity DataKi:  20nMAssay Description:Inhibition of ABL1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50141610(CHEMBL3759096)
Affinity DataKi:  34nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50505286(CHEMBL1231341)
Affinity DataKi:  67nMAssay Description:Inhibition of E3 ubiquitin-protein ligase XIAP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50009672(AdoHcy | S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-rib...)
Affinity DataKi:  270nMAssay Description:Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM19429(4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine | S...)
Affinity DataKi:  600nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM50436850(CHEMBL2403108 | CERITINIB | US10053458, Comparativ...)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM28453((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-[(dimeth...)
Affinity DataKi:  9.00E+3nMAssay Description:Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Boston University

Curated by ChEMBL
LigandPNGBDBM139995(US8901295, F428)
Affinity DataKi:  1.68E+4nMAssay Description:Inhibition of Cyclophilin A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)