null
SMILES: [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@]4([H])OC(C)(C)OC[C@@]4(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Liver carboxylesterase 1 (Homo sapiens (Human)) | BDBM50553897![]() (CHEMBL4800408) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CES1A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition an... | Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00464 BindingDB Entry DOI: 10.7270/Q2BG2SMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cocaine esterase (Homo sapiens (Human)) | BDBM50553897![]() (CHEMBL4800408) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CES2A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition an... | Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00464 BindingDB Entry DOI: 10.7270/Q2BG2SMW | |||||||||||
More data for this Ligand-Target Pair |