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Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

Curated by ChEMBL

BDBM50061307(AG-1254 | CHEMBL128696 | N-[(1R,2R)-3-(2-tert-Buty...)

Ki: 3nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/SwissProt
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Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

Curated by ChEMBL

BDBM50061308((3S,4aS,8aS)-2-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-m...)

Ki: 21nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/SwissProt
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Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

Curated by ChEMBL

BDBM50061305((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)

Ki: 98nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

Ki: 100nM ΔG°: -40.0kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Amine oxidase [flavin-containing] B(Mus musculus)
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

Ki: 200nM ΔG°: -38.2kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

Ki: 200nM ΔG°: -38.2kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

Amine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)

Ki: 500nMAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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Amine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

BDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)

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PDB Reactome pathway
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM50155318(CHEMBL3781063)

Ki: 550nMAssay Description:Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...More data for this Ligand-Target Pair

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PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: 700nM ΔG°: -35.1kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM50155319(CHEMBL3781774)

Ki: 720nMAssay Description:Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...More data for this Ligand-Target Pair

PDB Reactome pathway
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM50155322(CHEMBL3780640)

Ki: 780nMAssay Description:Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

Ki: 800nM ΔG°: -34.8kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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PDB Reactome pathway
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Amine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

Ki: 1.10E+3nM ΔG°: -34.0kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM50155321(CHEMBL3782038)

Ki: 1.15E+3nMAssay Description:Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...More data for this Ligand-Target Pair

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Amine oxidase(Equus caballus (horse))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

Ki: 1.40E+3nM ΔG°: -33.4kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

Ki: 2.30E+3nM ΔG°: -32.2kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM50155312(CHEMBL3780160)

Ki: 2.36E+3nMAssay Description:Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Mus musculus)
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

Ki: 2.40E+3nM ΔG°: -32.1kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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Amine oxidase [flavin-containing] B(Homo sapiens (Human))
Emory University

BDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)

Ki: 3.00E+3nM ΔG°: -31.5kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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Amine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

Ki: 5.00E+3nM ΔG°: -30.3kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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PDB MMDB Reactome pathway KEGG
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Amine oxidase [flavin-containing] B(Rattus norvegicus (rat))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: 6.00E+3nM ΔG°: -29.8kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] B(Bos taurus)
Emory University

BDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)

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Amine oxidase(Equus caballus (horse))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: 8.30E+3nM ΔG°: -29.0kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
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Amine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

BDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)

Ki: 1.50E+4nM ΔG°: -27.5kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

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Amine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: >1.00E+6nMAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: >1.00E+6nM ΔG°: >-17.1kJ/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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Amine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Amine oxidase [flavin-containing] B(Bos taurus)
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Ki: >1.00E+6nM ΔG°: >-17.1kJ/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Amine oxidase [flavin-containing] B(Bos taurus)
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Amine oxidase [flavin-containing] B(Bos taurus)
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

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Amine oxidase(Ovis aries (sheep))
Emory University

BDBM11020(1,4-diphenyl-2-butene (DPB) | [(2E)-4-phenylbut-2-...)

Amine oxidase(Ovis aries (sheep))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

Amine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

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Amine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

BDBM11021((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)

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Amine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

BDBM11018(2-[(E)-2-(3-chlorophenyl)ethenyl]-3,5,7-trimethyl-...)

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123975(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)

IC50: 10nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123967(3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-N-hydroxy-ac...)

IC50: 40nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123955(3-[4-(Dibenzofuran-1-sulfonylamino)-phenyl]-N-hydr...)

IC50: 40nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123970(CHEMBL168961 | N-Hydroxy-3-[4-(naphthalene-1-sulfo...)

IC50: 50nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123958(3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hyd...)

IC50: 50nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50105678((E)-N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino...)

IC50: 60nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50105689((E)-3-[4-(3,4-Dimethoxy-benzenesulfonylamino)-phen...)

IC50: 90nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Epidermal growth factor receptor(Homo sapiens (Human))
National Center For Radiation Research And Technology (Ncrrt)

Curated by ChEMBL

BDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)

IC50: 97nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair

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MMDB
PDB

PDB NCI pathway Reactome pathway KEGG
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NAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL

BDBM50531285(CHEMBL4581121)

IC50: 98nMAssay Description:Inhibition of SIRT1 (unknown origin)More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

NAD-dependent protein deacetylase sirtuin-1(Homo sapiens (Human))
Cairo University

Curated by ChEMBL

BDBM50531285(CHEMBL4581121)

IC50: 98nMAssay Description:Inhibition of SIRT1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50123957((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)

IC50: 100nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Histone deacetylase 1(Homo sapiens (Human))
Methylgene

Curated by ChEMBL

BDBM50105692((E)-3-[4-(4-tert-Butyl-benzenesulfonylamino)-pheny...)

IC50: 100nMAssay Description:Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)More data for this Ligand-Target Pair