BDBM50161481 CHEMBL3785391
SMILES: CN(C)C(=O)NC1CCc2cc(O)ccc2C1
InChI Key: InChIKey=USFYLXKJYGJWMA-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur... | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50161481 (CHEMBL3785391) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Erzurum Technical University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis | Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J | |||||||||||
More data for this Ligand-Target Pair |