BDBM50010261 (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate::7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one::CHEMBL52606::FORSKOLIN::cid_47936::colforsina::colforsine::colforsinum
SMILES: CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
InChI Key: InChIKey=OHCQJHSOBUTRHG-KGGHGJDLSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
nuclear receptor subfamily 0 group B member 1 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenylate cyclase type 8 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a |
Kunming Medical University Curated by ChEMBL | Assay Description Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit m... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose Transporter 1 (hGLUT1) (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
Food and Drug Administration Curated by ChEMBL | Assay Description Inhibition of [125I]-7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane | J Med Chem 34: 3204-12 (1991) BindingDB Entry DOI: 10.7270/Q20C4TRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenylate cyclase type I (Bos taurus) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Food and Drug Administration Curated by ChEMBL | Assay Description Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane | J Med Chem 34: 3204-12 (1991) BindingDB Entry DOI: 10.7270/Q20C4TRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenylate cyclase (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Food and Drug Administration Curated by ChEMBL | Assay Description Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1 | J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenylate cyclase (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Food and Drug Administration Curated by ChEMBL | Assay Description Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1 | J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of PXR in human cryopreserved hepatocytes assessed as induction of CYP3A4 | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Relaxin receptor 1 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences Curated by ChEMBL | Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay | Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM50010261 ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | >6.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9 | ||||||||||||
More data for this Ligand-Target Pair |