Compile Data Set for Download or QSAR
Report error Found 46 Enz. Inhib. hit(s) with all data for entry = 50021193
TargetSignal peptidase I(Escherichia coli (strain K12))TBA
LigandPNGBDBM50638114(CHEMBL5410707)
Affinity DataKi:  0.440nMAssay Description:Binding affinity to Escherichia coli type I signal peptidase LepB assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetProtein cereblon(Human)TBA
LigandPNGBDBM50630767(CHEMBL5279477)
Affinity DataIC50: 0.880nMAssay Description:Inhibition of CRBN (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638108(CHEMBL5555423)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of wild type N-terminal His tagged ABL kinase (unknown origin) using fluorescence-labelled substrate by off-chip mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638117(CHEMBL5559254)
Affinity DataKi:  3.60nMAssay Description:Inhibition of PI3Kdelta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetRetinal dehydrogenase 2(Human)TBA
LigandPNGBDBM50459608(CHEMBL3276621 | CHEBI:90441)
Affinity DataKi:  4.20nMAssay Description:Binding affinity to human ALDH1A2 assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataKi:  4.40nMAssay Description:Binding affinity to BTK (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638116(CHEMBL5556719)
Affinity DataKi:  5.70nMAssay Description:Inhibition of PI3Kdelta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638115(CHEMBL5560286)
Affinity DataKi:  6nMAssay Description:Inhibition of PI3Kdelta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638107(CHEMBL5556944)
Affinity DataIC50: 13nMAssay Description:Inhibition of CypE (unknown origin) expressed in Escherichia coli BL21(DE3) by FLIPR based Chymotrypsin coupled prolyl-isomerase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638110(CHEMBL5561816)
Affinity DataKi:  13nMAssay Description:Inhibition of recombinant ABL kinase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetProtein cereblon(Human)TBA
LigandPNGBDBM50630769(CHEMBL5431754)
Affinity DataIC50: 21nMAssay Description:Inhibition of CRBN (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638111(CHEMBL5517884)
Affinity DataIC50: 27nMAssay Description:Irreversible inhibition of MCL-1 (unknown origin) measured after 8 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638093(CHEMBL5563980)
Affinity DataIC50: 40nMAssay Description:Inhibition of SARS-CoV-2 Main protease (Mpro) by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638092(CHEMBL5560356)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 Main protease (Mpro) by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638107(CHEMBL5556944)
Affinity DataKi:  72nMAssay Description:Inhibition of CypE (unknown origin) assessed as apparent inhibition constant incubated for 24 hrs by Competition anisotropy binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638109(CHEMBL5564993)
Affinity DataIC50: 73nMAssay Description:Inhibition of wild type N-terminal His tagged ABL kinase (unknown origin) using fluorescence-labelled substrate by off-chip mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638089(CHEMBL5556988)
Affinity DataIC50: 80nMAssay Description:Inhibition of SARS-CoV-2 cysteine protease main proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM348882(US9790235, Number I-135)
Affinity DataIC50: 156nMAssay Description:Inhibition of human MK2 recombinant assessed as phosphorylation of Sox peptide by continuous fluorescence read assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM429386(med.21724, Compound 57)
Affinity DataIC50: 190nMAssay Description:Inhibition of SARS-CoV-2 cysteine protease main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetDNA polymerase beta(Human)TBA
LigandPNGBDBM50638112(CHEMBL5557939)
Affinity DataIC50: 204nMAssay Description:Inhibition of DNA polymerase beta (unknown origin) measured after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638085(CHEMBL5557186)
Affinity DataKi:  221nMAssay Description:Binding affinity to BTK (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetProtein cereblon(Human)TBA
LigandPNGBDBM50630768(CHEMBL5289875)
Affinity DataIC50: 256nMAssay Description:Inhibition of CRBN (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetPyruvate kinase PKLR(Human)TBA
LigandPNGBDBM50638113(CHEMBL5532261)
Affinity DataEC50:  290nMAssay Description:Allosteric activation at human liver pyruvate kinaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638088(CHEMBL5558170)
Affinity DataIC50: 430nMAssay Description:Inhibition of SARS-CoV-2 cysteine protease main proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM34720(SMR000177402 | 9-Allylsulfanyl-8-ethyl-5,8-dihydro...)
Affinity DataIC50: 800nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease (PLpro) using fluorogenic peptide substrate by fluorescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50405467(CHEMBL5278950)
Affinity DataKi:  1.34E+3nMAssay Description:Binding affinity to SARS-CoV-2 cysteine protease-Mpro assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetDNA polymerase beta(Human)TBA
LigandPNGBDBM50638112(CHEMBL5557939)
Affinity DataKi:  1.80E+3nMAssay Description:Irreversible inhibition of DNA polymerase beta (unknown origin) assessed as inhibition constant by Kitz-Wilson plot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50638108(CHEMBL5555423)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibition of recombinant ABL kinase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638091(CHEMBL5561792)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease (PLpro) using fluorogenic peptide substrate by fluorescent assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638101(CHEMBL5565654)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638100(CHEMBL5532140)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638099(CHEMBL5557898)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638105(CHEMBL5556252)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638104(CHEMBL5559641)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638103(CHEMBL5565860)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638102(CHEMBL5561946)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638106(CHEMBL5558296)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638094(CHEMBL5562968)
Affinity DataKi: <5.00E+3nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638090(CHEMBL5561435)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease (PLpro) using fluorogenic peptide substrate by fluorescent assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638095(CHEMBL5568114)
Affinity DataKi:  1.20E+4nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638098(CHEMBL5562255)
Affinity DataKi:  2.20E+4nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetGTPase KRas(Human)TBA
LigandPNGBDBM50623207(CHEMBL5419780)
Affinity DataKi:  2.60E+4nMAssay Description:Binding affinity to human KRAS G12S mutant assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638096(CHEMBL5517907)
Affinity DataKi:  3.30E+4nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)TBA
LigandPNGBDBM50638097(CHEMBL5556085)
Affinity DataKi:  5.30E+4nMAssay Description:Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638087(CHEMBL5558232)
Affinity DataKi:  5.36E+4nMAssay Description:Binding affinity to SARS-CoV-2 cysteine protease-Mpro assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50638086(CHEMBL5527903)
Affinity DataKi:  6.47E+4nMAssay Description:Binding affinity to SARS-CoV-2 cysteine protease-Mpro assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
PubMed