BDBM50084419 Andrographolide::CHEBI:65408

SMILES [H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO

InChI Key InChIKey=BOJKULTULYSRAS-OTESTREVSA-N

Data  4 IC50  5 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50084419   

TargetNuclear factor NF-kappa-B p105 subunit(Homo sapiens (Human))
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataIC50: 4.96E+4nMAssay Description:Inhibition of TNF-alpha-stimulated NF-kappaB p50 (unknown origin) expressed in HEK293 cells preincubated for 4 hrs followed by TNF-alpha challenge me...More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Macau

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of IL-6 stimulated STAT3 activation in human AD293 cells incubated with IL-6 for 16 hrs followed by compound addition measured after 6 hrs...More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Macau

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of NF-kappaB stimulated STAT3 activation in human AD293 cells incubated with NF-kappaB for 16 hrs followed by compound addition measured a...More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Macau

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of NF-kappaB stimulated STAT3 activation in human HeLa cells incubated with NF-kappaB for 16 hrs followed by compound addition measured af...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Institute of Higher Learning

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataIC50: 9.70E+3nMAssay Description:Antagonist activity at FXR (unknown origin)More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Macau

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of IFNgamma-stimulated STAT3 activation in human AD293 cells incubated with IFNgamma for 16 hrs followed by compound addition measured aft...More data for this Ligand-Target Pair
TargetHexokinase-2(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human HK2 expressed in Escherichia coli BL21(DE3) using glucose as substrate preincubated for 10 mins followed by substrate...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Institute of Higher Learning

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataIC50: 9.70E+3nMAssay Description:Antagonist activity at Gal4 DBD-fused human FXR LBD expressed in human HepG2 cells after 8 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University of Macau

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Show InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of IFNgamma-stimulated STAT3 activation in human HeLa cells incubated with IFNgamma for 16 hrs followed by compound addition measured afte...More data for this Ligand-Target Pair