BDBM50329190 (18beta,20beta)-3,11-Dioxo-olean-12-en-29-oic acid::(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid::3,11-Dioxoolean-12-ene-30-oic acid::CHEMBL493512
SMILES: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
InChI Key: InChIKey=QGWDYPREORDRIT-LPXJIFNVSA-N
Data: 4 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 |
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Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM50329190 ((18beta,20beta)-3,11-Dioxo-olean-12-en-29-oic acid...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | 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 | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50329190 ((18beta,20beta)-3,11-Dioxo-olean-12-en-29-oic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 619 | 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 2 (Homo sapiens (Human)) | BDBM50329190 ((18beta,20beta)-3,11-Dioxo-olean-12-en-29-oic acid...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 329 | 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 | |||||||||||||
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM50329190 ((18beta,20beta)-3,11-Dioxo-olean-12-en-29-oic acid...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | 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 |