BDBM50242248 CHEMBL461060::beta-amyrenone::beta-amyrinone::olean-12-en-3-one
SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
InChI Key: InChIKey=LIIFBMGUDSHTOU-CFYIDONUSA-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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Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cheng Kung University Curated by ChEMBL | Assay Description Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cells | Bioorg Med Chem 16: 9867-70 (2008) Article DOI: 10.1016/j.bmc.2008.09.021 BindingDB Entry DOI: 10.7270/Q2125TK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of aldose reductase in rat lens homogenate | J Nat Prod 66: 1191-6 (2003) Article DOI: 10.1021/np0301543 BindingDB Entry DOI: 10.7270/Q2PV6M79 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl coenzyme A:cholesterol acyltransferase (Homo sapiens (Human)) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed ... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50242248 (CHEMBL461060 | beta-amyrenone | beta-amyrinone | o...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University Curated by ChEMBL | Assay Description Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed ... | J Nat Prod 82: 3311-3320 (2019) Article DOI: 10.1021/acs.jnatprod.9b00538 | |||||||||||
More data for this Ligand-Target Pair |