BDBM50188385 (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid::(3beta,18beta,20beta)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid::CHEMBL207413
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
InChI Key: InChIKey=FTQDJVZNPJRVPG-XWEVEMRCSA-N
Data: 12 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Technology Curated by ChEMBL | Assay Description Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation... | Bioorg Med Chem 19: 1866-80 (2011) Article DOI: 10.1016/j.bmc.2011.02.005 BindingDB Entry DOI: 10.7270/Q2VD6ZR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst... | Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured... | Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Natural Resources and Applied Life Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c... | Bioorg Med Chem 18: 7522-41 (2010) Article DOI: 10.1016/j.bmc.2010.08.046 BindingDB Entry DOI: 10.7270/Q2PR7W7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Natural Resources and Applied Life Sciences Curated by ChEMBL | Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-3H]-cortisone to cortisol by scintillation count... | Bioorg Med Chem 18: 7522-41 (2010) Article DOI: 10.1016/j.bmc.2010.08.046 BindingDB Entry DOI: 10.7270/Q2PR7W7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-[3H]cortisone to cortisol after 10 mins by scint... | Bioorg Med Chem 19: 1866-80 (2011) Article DOI: 10.1016/j.bmc.2011.02.005 BindingDB Entry DOI: 10.7270/Q2VD6ZR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells | J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F | |||||||||||
More data for this Ligand-Target Pair |